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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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