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

Systemtic Name: (E)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide Openeye Name: (E)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide CAS Name: (E)-N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-(4-chlorophenyl)-2-propenamide IUPAC Name: (E)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide Traditional Name: (E)-N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-(4-chlorophenyl)acrylamide Formula: C21H20ClN3OS2 MolecularWeight: 429.986

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3OS2/c1-2-3-4-15-7-11-17-18(13-15)28-21(23-17)25-20(27)24-19(26)12-8-14-5-9-16(22)10-6-14/h5-13H,2-4H2,1H3,(H2,23,24,25,26,27)/b12-8+