4-[(4-cyclohexylphenyl)-[(3-methylsulfanylphenyl)carbamoylamino]methyl]-N-(2H-1,2,3,4-tetrazol-5-yl)benzamide

Systemtic Name: 4-[(4-cyclohexylphenyl)-[(3-methylsulfanylphenyl)carbamoylamino]methyl]-N-(2H-1,2,3,4-tetrazol-5-yl)benzamide Openeye Name: 4-[(4-cyclohexylphenyl)-[(3-methylsulfanylphenyl)carbamoylamino]methyl]-N-(2H-tetrazol-5-yl)benzamide CAS Name: 4-[(4-cyclohexylphenyl)-[[[3-(methylthio)anilino]-oxomethyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide IUPAC Name: 4-[(4-cyclohexylphenyl)-[(3-methylsulfanylphenyl)carbamoylamino]methyl]-N-(2H-tetrazol-5-yl)benzamide Traditional Name: 4-[(4-cyclohexylphenyl)-[[3-(methylthio)phenyl]carbamoylamino]methyl]-N-(2H-tetrazol-5-yl)benzamide Formula: C29H31N7O2S MolecularWeight: 541.66714

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)NC(C2=CC=C(C=C2)C3CCCCC3)C4=CC=C(C=C4)C(=O)NC5=NNN=N5

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)NC(C2=CC=C(C=C2)C3CCCCC3)C4=CC=C(C=C4)C(=O)NC5=NNN=N5

InChI

InChI=1S/C29H31N7O2S/c1-39-25-9-5-8-24(18-25)30-29(38)31-26(21-12-10-20(11-13-21)19-6-3-2-4-7-19)22-14-16-23(17-15-22)27(37)32-28-33-35-36-34-28/h5,8-19,26H,2-4,6-7H2,1H3,(H2,30,31,38)(H2,32,33,34,35,36,37)