N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(phenylmethylsulfanyl)propanamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-benzylsulfanyl-propanamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(phenylmethylthio)propanamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-benzylsulfanylpropanamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(benzylthio)propionamide Formula: C19H19N3O2S2 MolecularWeight: 385.50306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSCC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S2/c1-13(23)20-15-7-8-16-17(11-15)26-19(21-16)22-18(24)9-10-25-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H,21,22,24)