5-(3-chloranyl-4-methyl-phenyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3-chloro-4-methyl-phenyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3-chloro-4-methylphenyl)-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-chloro-4-methylphenyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3-chloro-4-methyl-phenyl)-N-[(2-pyrrolidinophenyl)thiocarbamoyl]-2-furamide Formula: C23H22ClN3O2S MolecularWeight: 439.95768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC=CC=C3N4CCCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC=CC=C3N4CCCC4)Cl

InChI

InChI=1S/C23H22ClN3O2S/c1-15-8-9-16(14-17(15)24)20-10-11-21(29-20)22(28)26-23(30)25-18-6-2-3-7-19(18)27-12-4-5-13-27/h2-3,6-11,14H,4-5,12-13H2,1H3,(H2,25,26,28,30)