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

Systemtic Name: N-[[3-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[[3-[3-(dimethylamino)-3-oxo-propyl]phenyl]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[3-[3-(dimethylamino)-3-oxopropyl]anilino]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[3-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-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=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)CCC(=O)N(C)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)CCC(=O)N(C)C

InChI

InChI=1S/C24H31N3O3S/c1-4-5-6-16-30-21-13-11-19(12-14-21)23(29)26-24(31)25-20-9-7-8-18(17-20)10-15-22(28)27(2)3/h7-9,11-14,17H,4-6,10,15-16H2,1-3H3,(H2,25,26,29,31)