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

Systemtic Name: N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-isobutoxy-benzamide CAS Name: N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-3-isobutoxy-benzamide Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O2S/c1-15(2)14-28-17-8-5-7-16(13-17)21(27)25-22(29)24-19-10-6-9-18(23)20(19)26-11-3-4-12-26/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H2,24,25,27,29)