1-[(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-benzyl-3-[(6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2S/c1-21-14-9-5-8-13(15(14)20)11-18-19-16(22)17-10-12-6-3-2-4-7-12/h2-9,11,18H,10H2,1H3,(H2,17,19,22)