3-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CN1C(=O)C2=CC=CC=C2NC1=S)C3=CC(=CC=C3)OC

Isomeric SMILES

CCN(CC)[C@H](CN1C(=O)C2=CC=CC=C2NC1=S)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H25N3O2S/c1-4-23(5-2)19(15-9-8-10-16(13-15)26-3)14-24-20(25)17-11-6-7-12-18(17)22-21(24)27/h6-13,19H,4-5,14H2,1-3H3,(H,22,27)/t19-/m1/s1