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

Systemtic Name: (E)-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: (E)-3-(4-isopropylphenyl)-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]prop-2-enamide CAS Name: (E)-N-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-N-[(6-nitro-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-p-cumenyl-acrylamide Formula: C20H18N4O3S2 MolecularWeight: 426.51192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O3S2/c1-12(2)14-6-3-13(4-7-14)5-10-18(25)22-19(28)23-20-21-16-9-8-15(24(26)27)11-17(16)29-20/h3-12H,1-2H3,(H2,21,22,23,25,28)/b10-5+