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

Systemtic Name: (E)-N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: (E)-N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-isopropylphenyl)prop-2-enamide CAS Name: (E)-N-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-p-cumenyl-acrylamide Formula: C22H23N3OS2 MolecularWeight: 409.56752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)C(C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)C(C)C)C

InChI

InChI=1S/C22H23N3OS2/c1-13(2)17-8-5-16(6-9-17)7-10-19(26)23-21(27)25-22-24-20-15(4)11-14(3)12-18(20)28-22/h5-13H,1-4H3,(H2,23,24,25,26,27)/b10-7+