N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C24H30ClN3O4S MolecularWeight: 492.0307

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCC3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCC3

InChI

InChI=1S/C24H30ClN3O4S/c1-4-30-19-14-16(15-20(31-5-2)22(19)32-6-3)23(29)27-24(33)26-18-11-9-10-17(25)21(18)28-12-7-8-13-28/h9-11,14-15H,4-8,12-13H2,1-3H3,(H2,26,27,29,33)