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

Systemtic Name: N-[[2-(3-chloranyl-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[2-(3-chloro-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[[2-(3-chloro-4-methoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[2-(3-chloro-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C27H26ClN7O4S MolecularWeight: 580.05784

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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)Cl

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)Cl

InChI

InChI=1S/C27H26ClN7O4S/c1-16-12-21-22(32-34(31-21)18-7-9-25(39-2)19(28)14-18)15-20(16)29-27(40)30-26(36)17-6-8-23(24(13-17)35(37)38)33-10-4-3-5-11-33/h6-9,12-15H,3-5,10-11H2,1-2H3,(H2,29,30,36,40)