3-acetamido-3-(4-chlorophenyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide

Systemtic Name: 3-acetamido-3-(4-chlorophenyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Openeye Name: 3-acetamido-3-(4-chlorophenyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide CAS Name: 3-acetamido-3-(4-chlorophenyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-acetamido-3-(4-chlorophenyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 3-acetamido-3-(4-chlorophenyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C19H18ClN3O2S2 MolecularWeight: 419.94812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NC1=CC2=C(C=C1)N=C(S2)SC)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NC(CC(=O)NC1=CC2=C(C=C1)N=C(S2)SC)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClN3O2S2/c1-11(24)21-16(12-3-5-13(20)6-4-12)10-18(25)22-14-7-8-15-17(9-14)27-19(23-15)26-2/h3-9,16H,10H2,1-2H3,(H,21,24)(H,22,25)