N-[[4-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-2-propoxy-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)CCC(=O)N(C)C

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)CCC(=O)N(C)C

InChI

InChI=1S/C22H27N3O3S/c1-4-15-28-19-8-6-5-7-18(19)21(27)24-22(29)23-17-12-9-16(10-13-17)11-14-20(26)25(2)3/h5-10,12-13H,4,11,14-15H2,1-3H3,(H2,23,24,27,29)