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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)CN2CCCCCC2=O

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)CN2CCCCCC2=O

InChI

InChI=1S/C16H22N4O2S/c1-12-7-4-5-8-13(12)17-16(23)19-18-14(21)11-20-10-6-2-3-9-15(20)22/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,18,21)(H2,17,19,23)