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

Systemtic Name: (E)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-chloranyl-3-nitro-phenyl)prop-2-enamide Openeye Name: (E)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-chloro-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-(4-chloro-3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-(4-chloro-3-nitro-phenyl)acrylamide Formula: C21H19ClN4O3S2 MolecularWeight: 474.98356

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(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O3S2/c1-2-3-4-13-6-9-16-18(12-13)31-21(23-16)25-20(30)24-19(27)10-7-14-5-8-15(22)17(11-14)26(28)29/h5-12H,2-4H2,1H3,(H2,23,24,25,27,30)/b10-7+