N-(2-cyclopentylsulfanylphenyl)-4-(dimethylamino)-3-nitro-benzamide

Systemtic Name: N-(2-cyclopentylsulfanylphenyl)-4-(dimethylamino)-3-nitro-benzamide Openeye Name: N-(2-cyclopentylsulfanylphenyl)-4-(dimethylamino)-3-nitro-benzamide CAS Name: N-[2-(cyclopentylthio)phenyl]-4-(dimethylamino)-3-nitrobenzamide IUPAC Name: N-(2-cyclopentylsulfanylphenyl)-4-(dimethylamino)-3-nitrobenzamide Traditional Name: N-[2-(cyclopentylthio)phenyl]-4-(dimethylamino)-3-nitro-benzamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2SC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2SC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3S/c1-22(2)17-12-11-14(13-18(17)23(25)26)20(24)21-16-9-5-6-10-19(16)27-15-7-3-4-8-15/h5-6,9-13,15H,3-4,7-8H2,1-2H3,(H,21,24)