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

Systemtic Name: 1-(4-nitrophenyl)-3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiourea Openeye Name: 1-(4-nitrophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea CAS Name: 1-(4-nitrophenyl)-3-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]thiourea IUPAC Name: 1-(4-nitrophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea Traditional Name: 1-[[2-(2-ketoazepan-1-yl)acetyl]amino]-3-(4-nitrophenyl)thiourea Formula: C15H19N5O4S MolecularWeight: 365.40746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N5O4S/c21-13(10-19-9-3-1-2-4-14(19)22)17-18-15(25)16-11-5-7-12(8-6-11)20(23)24/h5-8H,1-4,9-10H2,(H,17,21)(H2,16,18,25)