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

Systemtic Name: (E)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: (E)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-isopropylphenyl)prop-2-enamide CAS Name: (E)-N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-p-cumenyl-acrylamide Formula: C24H27N3OS2 MolecularWeight: 437.62068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C24H27N3OS2/c1-4-5-6-18-9-13-20-21(15-18)30-24(25-20)27-23(29)26-22(28)14-10-17-7-11-19(12-8-17)16(2)3/h7-16H,4-6H2,1-3H3,(H2,25,26,27,28,29)/b14-10+