N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C24H18N4O3S2 MolecularWeight: 474.55472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H18N4O3S2/c1-15-9-11-17(23-25-19-7-2-3-8-21(19)33-23)14-20(15)26-24(32)27-22(29)12-10-16-5-4-6-18(13-16)28(30)31/h2-14H,1H3,(H2,26,27,29,32)