N-(2-benzamidoethyl)-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(2-benzamidoethyl)-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2-benzamidoethyl)-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(2-benzamidoethyl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2-benzamidoethyl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2-benzamidoethyl)-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCNC(=O)C3=CC=CC=C3)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCNC(=O)C3=CC=CC=C3)NC1=S

InChI

InChI=1S/C22H24N4O4S/c1-30-13-5-12-26-21(29)17-9-8-16(14-18(17)25-22(26)31)20(28)24-11-10-23-19(27)15-6-3-2-4-7-15/h2-4,6-9,14H,5,10-13H2,1H3,(H,23,27)(H,24,28)(H,25,31)