1-(4-nitrophenyl)-3-[3-(2-oxidanylideneazepan-1-yl)propyl]thiourea

Systemtic Name: 1-(4-nitrophenyl)-3-[3-(2-oxidanylideneazepan-1-yl)propyl]thiourea Openeye Name: 1-(4-nitrophenyl)-3-[3-(2-oxoazepan-1-yl)propyl]thiourea CAS Name: 1-(4-nitrophenyl)-3-[3-(2-oxo-1-azepanyl)propyl]thiourea IUPAC Name: 1-(4-nitrophenyl)-3-[3-(2-oxoazepan-1-yl)propyl]thiourea Traditional Name: 1-[3-(2-ketoazepan-1-yl)propyl]-3-(4-nitrophenyl)thiourea Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O3S/c21-15-5-2-1-3-11-19(15)12-4-10-17-16(24)18-13-6-8-14(9-7-13)20(22)23/h6-9H,1-5,10-12H2,(H2,17,18,24)