1-[(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-benzyl-3-[(4-keto-3,5-dimethoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=S)NCC2=CC=CC=C2)C=C(C1=O)OC

Isomeric SMILES

COC1=CC(=CNNC(=S)NCC2=CC=CC=C2)C=C(C1=O)OC

InChI

InChI=1S/C17H19N3O3S/c1-22-14-8-13(9-15(23-2)16(14)21)11-19-20-17(24)18-10-12-6-4-3-5-7-12/h3-9,11,19H,10H2,1-2H3,(H2,18,20,24)