3-butoxy-N-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[4-[2-(dimethylamino)-2-oxo-ethyl]phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[4-[2-(dimethylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[4-[2-(dimethylamino)-2-keto-ethyl]phenyl]thiocarbamoyl]benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-4-5-13-28-19-8-6-7-17(15-19)21(27)24-22(29)23-18-11-9-16(10-12-18)14-20(26)25(2)3/h6-12,15H,4-5,13-14H2,1-3H3,(H2,23,24,27,29)