1-[(3-iodanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(2-methoxyethyl)thiourea

Systemtic Name: 1-[(3-iodanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(2-methoxyethyl)thiourea Openeye Name: 1-[(3-iodo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(2-methoxyethyl)thiourea CAS Name: 1-[(3-iodo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-(2-methoxyethyl)thiourea IUPAC Name: 1-[(3-iodo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-(2-methoxyethyl)thiourea Traditional Name: 1-[(3-iodo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(2-methoxyethyl)thiourea Formula: C12H16IN3O3S MolecularWeight: 409.24321

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)NNC=C1C=C(C(=O)C(=C1)I)OC

Isomeric SMILES

COCCNC(=S)NNC=C1C=C(C(=O)C(=C1)I)OC

InChI

InChI=1S/C12H16IN3O3S/c1-18-4-3-14-12(20)16-15-7-8-5-9(13)11(17)10(6-8)19-2/h5-7,15H,3-4H2,1-2H3,(H2,14,16,20)