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

Systemtic Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-isopropylphenyl)prop-2-enamide CAS Name: N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-p-cumenyl-acrylamide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S2/c1-13(2)15-8-5-14(6-9-15)7-10-19(26)23-21(29)25-22-24-20-17(28-4)11-16(27-3)12-18(20)30-22/h5-13H,1-4H3,(H2,23,24,25,26,29)