N-(2-acetamidoethyl)-5-oxidanylidene-2-phenylazanyl-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide

Systemtic Name: N-(2-acetamidoethyl)-5-oxidanylidene-2-phenylazanyl-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide Openeye Name: N-(2-acetamidoethyl)-2-anilino-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide CAS Name: N-(2-acetamidoethyl)-2-anilino-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide IUPAC Name: N-(2-acetamidoethyl)-2-anilino-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide Traditional Name: N-(2-acetamidoethyl)-2-anilino-5-keto-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide Formula: C20H18N6O3S MolecularWeight: 422.46032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)C1=CC2=C(C=C1)C(=O)N3C(=N2)SC(=N3)NC4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC(=O)C1=CC2=C(C=C1)C(=O)N3C(=N2)SC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C20H18N6O3S/c1-12(27)21-9-10-22-17(28)13-7-8-15-16(11-13)24-20-26(18(15)29)25-19(30-20)23-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,21,27)(H,22,28)(H,23,25)