N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylsulfonyl-1,4-diazepan-1-yl)propanamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylsulfonyl-1,4-diazepan-1-yl)propanamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylsulfonyl-1,4-diazepan-1-yl)propanamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylsulfonyl-1,4-diazepan-1-yl)propanamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylsulfonyl-1,4-diazepan-1-yl)propanamide Traditional Name: 2-(4-mesyl-1,4-diazepan-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propionamide Formula: C23H28N4O3S2 MolecularWeight: 472.62342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(C)N4CCCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(C)N4CCCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C23H28N4O3S2/c1-16-5-10-20-21(15-16)31-23(25-20)18-6-8-19(9-7-18)24-22(28)17(2)26-11-4-12-27(14-13-26)32(3,29)30/h5-10,15,17H,4,11-14H2,1-3H3,(H,24,28)