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

Systemtic Name: 1-[(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-1-methyl-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-1-methyl-thiourea CAS Name: 1-[(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-1-methyl-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-1-methylthiourea Traditional Name: 3-benzyl-1-[(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-1-methyl-thiourea Formula: C16H16ClN3OS MolecularWeight: 333.83574

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCC1=CC=CC=C1)NC=C2C=C(C=CC2=O)Cl

Isomeric SMILES

CN(C(=S)NCC1=CC=CC=C1)NC=C2C=C(C=CC2=O)Cl

InChI

InChI=1S/C16H16ClN3OS/c1-20(16(22)18-10-12-5-3-2-4-6-12)19-11-13-9-14(17)7-8-15(13)21/h2-9,11,19H,10H2,1H3,(H,18,22)