6,7-diethoxy-3-[3-[ethyl-(3-methylphenyl)amino]propyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6,7-diethoxy-3-[3-[ethyl-(3-methylphenyl)amino]propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6,7-diethoxy-3-[3-(N-ethyl-3-methyl-anilino)propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6,7-diethoxy-3-[3-(N-ethyl-3-methylanilino)propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6,7-diethoxy-3-[3-(N-ethyl-3-methylanilino)propyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6,7-diethoxy-3-[3-(N-ethyl-3-methyl-anilino)propyl]-2-thioxo-1H-quinazolin-4-one Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCN1C(=O)C2=CC(=C(C=C2NC1=S)OCC)OCC)C3=CC=CC(=C3)C

Isomeric SMILES

CCN(CCCN1C(=O)C2=CC(=C(C=C2NC1=S)OCC)OCC)C3=CC=CC(=C3)C

InChI

InChI=1S/C24H31N3O3S/c1-5-26(18-11-8-10-17(4)14-18)12-9-13-27-23(28)19-15-21(29-6-2)22(30-7-3)16-20(19)25-24(27)31/h8,10-11,14-16H,5-7,9,12-13H2,1-4H3,(H,25,31)