N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[[2-(4-methoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C27H27N7O4S MolecularWeight: 545.61278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C5=CC=C(C=C5)OC

InChI

InChI=1S/C27H27N7O4S/c1-17-14-22-23(31-33(30-22)19-7-9-20(38-2)10-8-19)16-21(17)28-27(39)29-26(35)18-6-11-24(25(15-18)34(36)37)32-12-4-3-5-13-32/h6-11,14-16H,3-5,12-13H2,1-2H3,(H2,28,29,35,39)