N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCCOC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCCOC)C

InChI

InChI=1S/C23H27N3O3S2/c1-15-5-7-18(13-16(15)2)31-12-9-24-21(27)17-6-8-19-20(14-17)25-23(30)26(22(19)28)10-4-11-29-3/h5-8,13-14H,4,9-12H2,1-3H3,(H,24,27)(H,25,30)