N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C27H36N4O3S MolecularWeight: 496.66474

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S)C3=CC(=CC=C3)OC

Isomeric SMILES

CCN(CC)C(CNC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S)C3=CC(=CC=C3)OC

InChI

InChI=1S/C27H36N4O3S/c1-4-30(5-2)24(20-12-11-13-21(18-20)34-3)19-28-25(32)16-7-6-10-17-31-26(33)22-14-8-9-15-23(22)29-27(31)35/h8-9,11-15,18,24H,4-7,10,16-17,19H2,1-3H3,(H,28,32)(H,29,35)