1-(4-methylphenyl)-3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiourea

Systemtic Name: 1-(4-methylphenyl)-3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiourea Openeye Name: 1-[[2-(2-oxoazepan-1-yl)acetyl]amino]-3-(p-tolyl)thiourea CAS Name: 1-(4-methylphenyl)-3-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]thiourea IUPAC Name: 1-(4-methylphenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea Traditional Name: 1-[[2-(2-ketoazepan-1-yl)acetyl]amino]-3-(p-tolyl)thiourea Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NNC(=O)CN2CCCCCC2=O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NNC(=O)CN2CCCCCC2=O

InChI

InChI=1S/C16H22N4O2S/c1-12-6-8-13(9-7-12)17-16(23)19-18-14(21)11-20-10-4-2-3-5-15(20)22/h6-9H,2-5,10-11H2,1H3,(H,18,21)(H2,17,19,23)