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

Systemtic Name: 1-[(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(3,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-benzyl-3-[(4-keto-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CNNC(=S)NCC2=CC=CC=C2)C=C(C1=O)C

Isomeric SMILES

CC1=CC(=CNNC(=S)NCC2=CC=CC=C2)C=C(C1=O)C

InChI

InChI=1S/C17H19N3OS/c1-12-8-15(9-13(2)16(12)21)11-19-20-17(22)18-10-14-6-4-3-5-7-14/h3-9,11,19H,10H2,1-2H3,(H2,18,20,22)