1-(2,5-dimethylphenyl)-3-[3-(2-oxidanylideneazepan-1-yl)propyl]thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[3-(2-oxidanylideneazepan-1-yl)propyl]thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-[3-(2-oxoazepan-1-yl)propyl]thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[3-(2-oxo-1-azepanyl)propyl]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[3-(2-oxoazepan-1-yl)propyl]thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-[3-(2-ketoazepan-1-yl)propyl]thiourea Formula: C18H27N3OS MolecularWeight: 333.49148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3OS/c1-14-8-9-15(2)16(13-14)20-18(23)19-10-6-12-21-11-5-3-4-7-17(21)22/h8-9,13H,3-7,10-12H2,1-2H3,(H2,19,20,23)