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

Systemtic Name: N-[[3-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[3-[3-(dimethylamino)-3-oxo-propyl]phenyl]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[3-[3-(dimethylamino)-3-oxopropyl]anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[3-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[3-[3-(dimethylamino)-3-keto-propyl]phenyl]thiocarbamoyl]benzamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)CCC(=O)N(C)C

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)CCC(=O)N(C)C

InChI

InChI=1S/C24H31N3O3S/c1-4-5-8-16-30-21-13-7-6-12-20(21)23(29)26-24(31)25-19-11-9-10-18(17-19)14-15-22(28)27(2)3/h6-7,9-13,17H,4-5,8,14-16H2,1-3H3,(H2,25,26,29,31)