1-(3-chloranyl-4-methyl-phenyl)-3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiourea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[[2-(2-ketoazepan-1-yl)acetyl]amino]thiourea Formula: C16H21ClN4O2S MolecularWeight: 368.88154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN4O2S/c1-11-6-7-12(9-13(11)17)18-16(24)20-19-14(22)10-21-8-4-2-3-5-15(21)23/h6-7,9H,2-5,8,10H2,1H3,(H,19,22)(H2,18,20,24)