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

Systemtic Name: N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-isopropoxy-benzamide CAS Name: N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-4-isopropoxy-benzamide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O2S/c1-14(2)27-16-10-8-15(9-11-16)20(26)24-21(28)23-18-7-5-6-17(22)19(18)25-12-3-4-13-25/h5-11,14H,3-4,12-13H2,1-2H3,(H2,23,24,26,28)