1-[1-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)dodecylamino]thiourea

Systemtic Name: 1-[1-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)dodecylamino]thiourea Openeye Name: [1-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)dodecylamino]thiourea CAS Name: [1-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)dodecylamino]thiourea IUPAC Name: [1-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)dodecylamino]thiourea Traditional Name: [1-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)dodecylamino]thiourea Formula: C20H33N3OS MolecularWeight: 363.56052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=C1C=C(C=CC1=O)C)NNC(=S)N

Isomeric SMILES

CCCCCCCCCCCC(=C1C=C(C=CC1=O)C)NNC(=S)N

InChI

InChI=1S/C20H33N3OS/c1-3-4-5-6-7-8-9-10-11-12-18(22-23-20(21)25)17-15-16(2)13-14-19(17)24/h13-15,22H,3-12H2,1-2H3,(H3,21,23,25)