N-(4-methylphenyl)sulfonyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-methylphenyl)sulfonyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(p-tolylsulfonyl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-methylphenyl)sulfonyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-methylphenyl)sulfonyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-tosyl-1,4-diazepane-1-carboxamide Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCCN(CC2)C3=NC(=NS3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCCN(CC2)C3=NC(=NS3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O3S2/c1-16-8-10-18(11-9-16)31(28,29)24-20(27)25-12-5-13-26(15-14-25)21-22-19(23-30-21)17-6-3-2-4-7-17/h2-4,6-11H,5,12-15H2,1H3,(H,24,27)