N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide

Systemtic Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=NC3=C(C=C(C=C3S2)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=NC3=C(C=C(C=C3S2)OC)OC

InChI

InChI=1S/C20H19N3O4S2/c1-25-13-7-4-12(5-8-13)6-9-17(24)21-19(28)23-20-22-18-15(27-3)10-14(26-2)11-16(18)29-20/h4-11H,1-3H3,(H2,21,22,23,24,28)