N-[(4-benzamido-3-methyl-phenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(4-benzamido-3-methyl-phenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(4-benzamido-3-methyl-phenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(4-benzamido-3-methylanilino)-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(4-benzamido-3-methylphenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(4-benzamido-3-methyl-phenyl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C26H25N5O4S MolecularWeight: 503.5728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H25N5O4S/c1-17-15-20(10-11-21(17)28-24(32)18-7-3-2-4-8-18)27-26(36)29-25(33)19-9-12-22(23(16-19)31(34)35)30-13-5-6-14-30/h2-4,7-12,15-16H,5-6,13-14H2,1H3,(H,28,32)(H2,27,29,33,36)