N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-5-nitro-2-piperidin-1-yl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCCC5

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCCC5

InChI

InChI=1S/C29H31N7O3S/c1-2-3-7-20-8-11-22(12-9-20)35-32-25-14-10-21(18-26(25)33-35)30-29(40)31-28(37)24-19-23(36(38)39)13-15-27(24)34-16-5-4-6-17-34/h8-15,18-19H,2-7,16-17H2,1H3,(H2,30,31,37,40)