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

Systemtic Name: 4-butan-2-yloxy-N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide Openeye Name: N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-sec-butoxy-benzamide CAS Name: 4-butan-2-yloxy-N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butan-2-yloxy-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]-4-sec-butoxy-benzamide Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl

InChI

InChI=1S/C22H26ClN3O2S/c1-3-15(2)28-18-9-6-16(7-10-18)21(27)25-22(29)24-17-8-11-20(19(23)14-17)26-12-4-5-13-26/h6-11,14-15H,3-5,12-13H2,1-2H3,(H2,24,25,27,29)