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

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfanyl-propanamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfanyl-propanamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)thio]propanamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)thio]propionamide Formula: C18H16ClN3O2S2 MolecularWeight: 405.92154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O2S2/c1-11(23)20-13-4-7-15-16(10-13)26-18(21-15)22-17(24)8-9-25-14-5-2-12(19)3-6-14/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,22,24)