N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C26H34N4O4S MolecularWeight: 498.63756

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCOC)C3=CC(=CC=C3)OC

Isomeric SMILES

CCN(CC)C(CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCOC)C3=CC(=CC=C3)OC

InChI

InChI=1S/C26H34N4O4S/c1-5-29(6-2)23(18-9-7-10-20(15-18)34-4)17-27-24(31)19-11-12-21-22(16-19)28-26(35)30(25(21)32)13-8-14-33-3/h7,9-12,15-16,23H,5-6,8,13-14,17H2,1-4H3,(H,27,31)(H,28,35)