N-[(4-benzamidophenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(4-benzamidophenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(4-benzamidophenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(4-benzamidoanilino)-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(4-benzamidophenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(4-benzamidophenyl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C25H23N5O4S MolecularWeight: 489.54622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O4S/c31-23(17-6-2-1-3-7-17)26-19-9-11-20(12-10-19)27-25(35)28-24(32)18-8-13-21(22(16-18)30(33)34)29-14-4-5-15-29/h1-3,6-13,16H,4-5,14-15H2,(H,26,31)(H2,27,28,32,35)