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

Systemtic Name: 1-(3-methylphenyl)-3-[3-(2-oxidanylideneazepan-1-yl)propyl]thiourea Openeye Name: 1-(m-tolyl)-3-[3-(2-oxoazepan-1-yl)propyl]thiourea CAS Name: 1-(3-methylphenyl)-3-[3-(2-oxo-1-azepanyl)propyl]thiourea IUPAC Name: 1-(3-methylphenyl)-3-[3-(2-oxoazepan-1-yl)propyl]thiourea Traditional Name: 1-[3-(2-ketoazepan-1-yl)propyl]-3-(m-tolyl)thiourea Formula: C17H25N3OS MolecularWeight: 319.4649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NCCCN2CCCCCC2=O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NCCCN2CCCCCC2=O

InChI

InChI=1S/C17H25N3OS/c1-14-7-5-8-15(13-14)19-17(22)18-10-6-12-20-11-4-2-3-9-16(20)21/h5,7-8,13H,2-4,6,9-12H2,1H3,(H2,18,19,22)