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

Systemtic Name: N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[[[6-methyl-2-(4-propan-2-ylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[(6-methyl-2-p-cumenyl-benzotriazol-5-yl)thiocarbamoyl]-5-nitro-2-piperidino-benzamide Formula: C29H31N7O3S MolecularWeight: 557.66654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N7O3S/c1-18(2)20-7-9-21(10-8-20)35-32-25-15-19(3)24(17-26(25)33-35)30-29(40)31-28(37)23-16-22(36(38)39)11-12-27(23)34-13-5-4-6-14-34/h7-12,15-18H,4-6,13-14H2,1-3H3,(H2,30,31,37,40)