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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C17H25N3OS/c21-16-10-5-2-6-12-20(16)13-7-11-18-17(22)19-14-15-8-3-1-4-9-15/h1,3-4,8-9H,2,5-7,10-14H2,(H2,18,19,22)