N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanamide

Systemtic Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanamide Openeye Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide CAS Name: N-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide IUPAC Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide Traditional Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-(2-keto-1,3-benzothiazol-3-yl)propionamide Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CCN3C4=CC=CC=C4SC3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CCN3C4=CC=CC=C4SC3=O)OC

InChI

InChI=1S/C21H19N3O4S2/c1-27-16-8-7-13(11-17(16)28-2)14-12-29-20(22-14)23-19(25)9-10-24-15-5-3-4-6-18(15)30-21(24)26/h3-8,11-12H,9-10H2,1-2H3,(H,22,23,25)