4-(8-oxidanylidene-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-phenethyl-butanamide

Systemtic Name: 4-(8-oxidanylidene-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-phenethyl-butanamide Openeye Name: 4-(8-oxo-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-phenethyl-butanamide CAS Name: 4-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-phenethylbutanamide IUPAC Name: 4-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-phenethylbutanamide Traditional Name: 4-(8-keto-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-phenethyl-butyramide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CCCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CCCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4S/c25-19(22-9-8-14-5-2-1-3-6-14)7-4-10-24-20(26)15-11-17-18(28-13-27-17)12-16(15)23-21(24)29/h1-3,5-6,11-12H,4,7-10,13H2,(H,22,25)(H,23,29)