(E)-N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide

Systemtic Name: (E)-N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: (E)-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-isopropylphenyl)prop-2-enamide CAS Name: (E)-N-[[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-p-cumenyl-acrylamide Formula: C21H20ClN3OS2 MolecularWeight: 429.986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H20ClN3OS2/c1-12(2)15-7-4-14(5-8-15)6-9-19(26)24-20(27)25-21-23-17-11-16(22)13(3)10-18(17)28-21/h4-12H,1-3H3,(H2,23,24,25,26,27)/b9-6+