N-(4-cyclopentylsulfanylphenyl)-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-(4-cyclopentylsulfanylphenyl)-4-(methylamino)-3-nitro-benzamide Openeye Name: N-(4-cyclopentylsulfanylphenyl)-4-(methylamino)-3-nitro-benzamide CAS Name: N-[4-(cyclopentylthio)phenyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-(4-cyclopentylsulfanylphenyl)-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[4-(cyclopentylthio)phenyl]-4-(methylamino)-3-nitro-benzamide Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)SC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)SC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O3S/c1-20-17-11-6-13(12-18(17)22(24)25)19(23)21-14-7-9-16(10-8-14)26-15-4-2-3-5-15/h6-12,15,20H,2-5H2,1H3,(H,21,23)