4-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(cyclopentylamino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(cyclopentylamino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O4S/c15-14(19)9-5-6-12(11(7-9)17(20)21)22-8-13(18)16-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H2,15,19)(H,16,18)