N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide

Systemtic Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanamide CAS Name: N-[4-(1-azepanylmethyl)-2-thiazolyl]-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-4-(methylthio)-2-(tosylamino)butyramide Formula: C22H32N4O3S3 MolecularWeight: 496.70948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=NC(=CS2)CN3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=NC(=CS2)CN3CCCCCC3

InChI

InChI=1S/C22H32N4O3S3/c1-17-7-9-19(10-8-17)32(28,29)25-20(11-14-30-2)21(27)24-22-23-18(16-31-22)15-26-12-5-3-4-6-13-26/h7-10,16,20,25H,3-6,11-15H2,1-2H3,(H,23,24,27)