3-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide

Systemtic Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide Openeye Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]propanamide CAS Name: 3-(1,3-benzoxazol-2-ylthio)-N-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]propanamide IUPAC Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide Traditional Name: 3-(1,3-benzoxazol-2-ylthio)-N-[4-(3,4-dimethoxyphenyl)thiazol-2-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)CCSC3=NC4=CC=CC=C4O3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CCSC3=NC4=CC=CC=C4O3)OC

InChI

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