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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCC1=CC=CC=C1)NC=C2C=CC(=O)C(=C2)O

Isomeric SMILES

CN(C(=S)NCC1=CC=CC=C1)NC=C2C=CC(=O)C(=C2)O

InChI

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