2-diethylaminoethyl 4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzoate

Systemtic Name: 2-diethylaminoethyl 4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzoate Openeye Name: 2-diethylaminoethyl 4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)benzoate CAS Name: 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoate Traditional Name: 4-(4-keto-2-thioxo-1H-quinazolin-3-yl)benzoic acid 2-diethylaminoethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H23N3O3S/c1-3-23(4-2)13-14-27-20(26)15-9-11-16(12-10-15)24-19(25)17-7-5-6-8-18(17)22-21(24)28/h5-12H,3-4,13-14H2,1-2H3,(H,22,28)