N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-methyl-2-oxo-thiazol-3-yl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(4-methyl-2-oxo-3-thiazolyl)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(2-keto-4-methyl-4-thiazolin-3-yl)propionamide Formula: C20H27N3O4S2 MolecularWeight: 437.57608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCN2C(=CSC2=O)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCN2C(=CSC2=O)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H27N3O4S2/c1-15-7-8-17(21-19(24)9-12-23-16(2)14-28-20(23)25)13-18(15)29(26,27)22-10-5-3-4-6-11-22/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,21,24)