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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[3-(2-oxidanylideneazepan-1-yl)propyl]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[3-(2-oxoazepan-1-yl)propyl]thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[3-(2-oxo-1-azepanyl)propyl]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[3-(2-oxoazepan-1-yl)propyl]thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[3-(2-ketoazepan-1-yl)propyl]thiourea Formula: C17H24ClN3OS MolecularWeight: 353.90996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCCCN2CCCCCC2=O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCCCN2CCCCCC2=O)Cl

InChI

InChI=1S/C17H24ClN3OS/c1-13-7-8-14(12-15(13)18)20-17(23)19-9-5-11-21-10-4-2-3-6-16(21)22/h7-8,12H,2-6,9-11H2,1H3,(H2,19,20,23)