(E)-N-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(6-ethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C19H16N4O4S2 MolecularWeight: 428.48474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O4S2/c1-2-27-14-7-8-15-16(11-14)29-19(20-15)22-18(28)21-17(24)9-6-12-4-3-5-13(10-12)23(25)26/h3-11H,2H2,1H3,(H2,20,21,22,24,28)/b9-6+