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

Systemtic Name: N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[(3-chloro-4-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=CC(=C(C=C2)N3CCCC3)Cl

Isomeric SMILES

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

InChI

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