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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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