(Z)-3-(1,3-benzothiazol-2-yl)-4-(3,4-dimethoxyphenyl)-N-phenyl-but-3-enamide

Systemtic Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(3,4-dimethoxyphenyl)-N-phenyl-but-3-enamide Openeye Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(3,4-dimethoxyphenyl)-N-phenyl-but-3-enamide CAS Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(3,4-dimethoxyphenyl)-N-phenyl-3-butenamide IUPAC Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(3,4-dimethoxyphenyl)-N-phenylbut-3-enamide Traditional Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(3,4-dimethoxyphenyl)-N-phenyl-but-3-enamide Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(CC(=O)NC2=CC=CC=C2)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(/CC(=O)NC2=CC=CC=C2)\C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C25H22N2O3S/c1-29-21-13-12-17(15-22(21)30-2)14-18(16-24(28)26-19-8-4-3-5-9-19)25-27-20-10-6-7-11-23(20)31-25/h3-15H,16H2,1-2H3,(H,26,28)/b18-14-