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

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenylprop-2-enamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-phenyl-acrylamide Formula: C21H21N3OS2 MolecularWeight: 395.54094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3OS2/c1-2-3-7-16-10-12-17-18(14-16)27-21(22-17)24-20(26)23-19(25)13-11-15-8-5-4-6-9-15/h4-6,8-14H,2-3,7H2,1H3,(H2,22,23,24,25,26)