1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[[2-(2-ketoazepan-1-yl)acetyl]amino]thiourea Formula: C17H23ClN4O2S MolecularWeight: 382.90812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN4O2S/c1-11-8-12(2)16(13(18)9-11)19-17(25)21-20-14(23)10-22-7-5-3-4-6-15(22)24/h8-9H,3-7,10H2,1-2H3,(H,20,23)(H2,19,21,25)