N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(p-tolylsulfonyl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide Traditional Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-tosyl-1,4-diazepane-1-carboxamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NC3=CC4=C(C=C3)N=C(S4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NC3=CC4=C(C=C3)N=C(S4)C

InChI

InChI=1S/C21H24N4O3S2/c1-15-4-7-18(8-5-15)30(27,28)25-11-3-10-24(12-13-25)21(26)23-17-6-9-19-20(14-17)29-16(2)22-19/h4-9,14H,3,10-13H2,1-2H3,(H,23,26)