3-(2-diethylaminoethyl)-4-oxidanylidene-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(2-diethylaminoethyl)-4-oxidanylidene-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-benzyl-3-(2-diethylaminoethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2-diethylaminoethyl)-4-oxo-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-benzyl-3-(2-diethylaminoethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-benzyl-3-(2-diethylaminoethyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3)NC1=S

Isomeric SMILES

CCN(CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3)NC1=S

InChI

InChI=1S/C22H26N4O2S/c1-3-25(4-2)12-13-26-21(28)18-11-10-17(14-19(18)24-22(26)29)20(27)23-15-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,23,27)(H,24,29)