4-butoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[4-(1-pyrrolidinylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[4-(pyrrolidinomethyl)phenyl]thiocarbamoyl]benzamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCC3

InChI

InChI=1S/C23H29N3O2S/c1-2-3-16-28-21-12-8-19(9-13-21)22(27)25-23(29)24-20-10-6-18(7-11-20)17-26-14-4-5-15-26/h6-13H,2-5,14-17H2,1H3,(H2,24,25,27,29)