N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide

Systemtic Name: N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide Openeye Name: 3-[5-(4-chlorophenyl)-2-furyl]-N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]prop-2-enamide CAS Name: 3-[5-(4-chlorophenyl)-2-furanyl]-N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-[5-(4-chlorophenyl)furan-2-yl]-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide Traditional Name: 3-[5-(4-chlorophenyl)-2-furyl]-N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]acrylamide Formula: C24H21Cl2N3O2S MolecularWeight: 486.41344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(O3)C4=CC=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(O3)C4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H21Cl2N3O2S/c25-17-5-3-16(4-6-17)22-11-8-19(31-22)9-12-23(30)28-24(32)27-18-7-10-21(20(26)15-18)29-13-1-2-14-29/h3-12,15H,1-2,13-14H2,(H2,27,28,30,32)