3-butoxy-N-[[4-(diethylaminomethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[[4-(diethylaminomethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[4-(diethylaminomethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[4-(diethylaminomethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[4-(diethylaminomethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[4-(diethylaminomethyl)phenyl]thiocarbamoyl]benzamide Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O2S/c1-4-7-15-28-21-10-8-9-19(16-21)22(27)25-23(29)24-20-13-11-18(12-14-20)17-26(5-2)6-3/h8-14,16H,4-7,15,17H2,1-3H3,(H2,24,25,27,29)