4-(4-methylpiperidin-1-yl)-N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-(4-methylpiperidin-1-yl)-N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: 4-(4-methyl-1-piperidinyl)-N-[[[6-methyl-2-(4-propan-2-ylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-(4-methylpiperidin-1-yl)-N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(6-methyl-2-p-cumenyl-benzotriazol-5-yl)thiocarbamoyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C30H33N7O3S MolecularWeight: 571.69312

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3C)C5=CC=C(C=C5)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3C)C5=CC=C(C=C5)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C30H33N7O3S/c1-18(2)21-5-8-23(9-6-21)36-33-25-15-20(4)24(17-26(25)34-36)31-30(41)32-29(38)22-7-10-27(28(16-22)37(39)40)35-13-11-19(3)12-14-35/h5-10,15-19H,11-14H2,1-4H3,(H2,31,32,38,41)