4-[[(4-cyclohexylphenyl)-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]amino]methyl]-N-(2H-1,2,3,4-tetrazol-5-yl)benzamide

Systemtic Name: 4-[[(4-cyclohexylphenyl)-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]amino]methyl]-N-(2H-1,2,3,4-tetrazol-5-yl)benzamide Openeye Name: 4-[[4-cyclohexyl-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide CAS Name: 4-[(4-cyclohexyl-N-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-oxomethyl]anilino)methyl]-N-(2H-tetrazol-5-yl)benzamide IUPAC Name: 4-[[4-cyclohexyl-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide Traditional Name: 4-[[4-cyclohexyl-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide Formula: C29H27N9O4S MolecularWeight: 597.64758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)NC4=NNN=N4)C(=O)NC5=NC6=C(S5)C=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)NC4=NNN=N4)C(=O)NC5=NC6=C(S5)C=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C29H27N9O4S/c39-26(31-27-33-35-36-34-27)21-8-6-18(7-9-21)17-37(22-12-10-20(11-13-22)19-4-2-1-3-5-19)29(40)32-28-30-24-15-14-23(38(41)42)16-25(24)43-28/h6-16,19H,1-5,17H2,(H,30,32,40)(H2,31,33,34,35,36,39)