3-[(2S)-butan-2-yl]oxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-[(2S)-butan-2-yl]oxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 3-[(1S)-1-methylpropoxy]-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide CAS Name: 3-[(2S)-butan-2-yl]oxy-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-[(2S)-butan-2-yl]oxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 3-[(1S)-1-methylpropoxy]-N-[(2-pyrrolidinophenyl)thiocarbamoyl]benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3

Isomeric SMILES

CC[C@H](C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3

InChI

InChI=1S/C22H27N3O2S/c1-3-16(2)27-18-10-8-9-17(15-18)21(26)24-22(28)23-19-11-4-5-12-20(19)25-13-6-7-14-25/h4-5,8-12,15-16H,3,6-7,13-14H2,1-2H3,(H2,23,24,26,28)/t16-/m0/s1