(E)-N-[(3-bromophenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[(3-bromophenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[(3-bromophenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[(3-bromoanilino)-sulfanylidenemethyl]-3-(3,4-dimethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[(3-bromophenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[(3-bromophenyl)thiocarbamoyl]-3-(3,4-dimethoxyphenyl)acrylamide Formula: C18H17BrN2O3S MolecularWeight: 421.30818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NC2=CC(=CC=C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC(=CC=C2)Br)OC

InChI

InChI=1S/C18H17BrN2O3S/c1-23-15-8-6-12(10-16(15)24-2)7-9-17(22)21-18(25)20-14-5-3-4-13(19)11-14/h3-11H,1-2H3,(H2,20,21,22,25)/b9-7+