N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-methoxy-benzamide

Systemtic Name: N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-methoxy-benzamide CAS Name: N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-4-methoxybenzamide Traditional Name: N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-4-methoxy-benzamide Formula: C19H20ClN3O2S MolecularWeight: 389.899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O2S/c1-25-14-9-7-13(8-10-14)18(24)22-19(26)21-16-6-4-5-15(20)17(16)23-11-2-3-12-23/h4-10H,2-3,11-12H2,1H3,(H2,21,22,24,26)