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

Systemtic Name: 3-acetamido-3-(4-methoxyphenyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Openeye Name: 3-acetamido-3-(4-methoxyphenyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide CAS Name: 3-acetamido-3-(4-methoxyphenyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-acetamido-3-(4-methoxyphenyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 3-acetamido-3-(4-methoxyphenyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S2/c1-12(24)21-17(13-4-7-15(26-2)8-5-13)11-19(25)22-14-6-9-16-18(10-14)28-20(23-16)27-3/h4-10,17H,11H2,1-3H3,(H,21,24)(H,22,25)