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

Systemtic Name: 1-[(3-chloranyl-5-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-1-methyl-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(3-chloro-5-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-1-methyl-thiourea CAS Name: 1-[(3-chloro-5-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-1-methyl-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(3-chloro-5-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-1-methylthiourea Traditional Name: 3-benzyl-1-[(3-chloro-5-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-1-methyl-thiourea Formula: C16H16ClN3O2S MolecularWeight: 349.83514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O2S/c1-20(16(23)18-9-11-5-3-2-4-6-11)19-10-12-7-13(17)15(22)14(21)8-12/h2-8,10,19,21H,9H2,1H3,(H,18,23)