propyl N'-[(5-methanoyl-3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-N-[(5-methanoyl-3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamimidothioate

Systemtic Name: propyl N'-[(5-methanoyl-3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-N-[(5-methanoyl-3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamimidothioate Openeye Name: 3-[(5-formyl-3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-1-[(5-formyl-3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-propyl-isothiourea CAS Name: N'-[(5-formyl-3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-N-[(5-formyl-3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]carbamimidothioic acid propyl ester IUPAC Name: propyl N'-[(5-formyl-3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-N-[(5-formyl-3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamimidothioate Traditional Name: 3-[(5-formyl-6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)methyl]-1-[(5-formyl-6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-propyl-isothiourea Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=NC=C1C=C(C=C(C1=O)C=O)C)NNC=C2C=C(C=C(C2=O)C=O)C

Isomeric SMILES

CCCSC(=NC=C1C=C(C=C(C1=O)C=O)C)NNC=C2C=C(C=C(C2=O)C=O)C

InChI

InChI=1S/C22H23N3O4S/c1-4-5-30-22(23-10-16-6-14(2)8-18(12-26)20(16)28)25-24-11-17-7-15(3)9-19(13-27)21(17)29/h6-13,24H,4-5H2,1-3H3,(H,23,25)