N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[[2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[[2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[[2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]-4-pyrrolidino-benzamide Formula: C25H23N7O3S MolecularWeight: 501.56022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H23N7O3S/c1-16-4-8-19(9-5-16)31-28-20-10-7-18(15-21(20)29-31)26-25(36)27-24(33)17-6-11-22(23(14-17)32(34)35)30-12-2-3-13-30/h4-11,14-15H,2-3,12-13H2,1H3,(H2,26,27,33,36)