N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2-phenylacetamide Traditional Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-phenyl-acetamide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C18H17N3O3S2/c1-23-12-9-13(24-2)16-14(10-12)26-18(20-16)21-17(25)19-15(22)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,19,20,21,22,25)