(E)-3-(4-methoxyphenyl)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-methoxyphenyl)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-methoxyphenyl)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-methoxyphenyl)-N-[[4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-methoxyphenyl)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-methoxyphenyl)-N-[(4-pyrrolidinophenyl)thiocarbamoyl]acrylamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C21H23N3O2S/c1-26-19-11-4-16(5-12-19)6-13-20(25)23-21(27)22-17-7-9-18(10-8-17)24-14-2-3-15-24/h4-13H,2-3,14-15H2,1H3,(H2,22,23,25,27)/b13-6+