N-[1-(1-adamantyl)ethyl]-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[1-(1-adamantyl)ethyl]-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[1-(1-adamantyl)ethyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[1-(1-adamantyl)ethyl]-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC5=C(C=C4)C(=O)N(C(=S)N5)CCCOC

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC5=C(C=C4)C(=O)N(C(=S)N5)CCCOC

InChI

InChI=1S/C25H33N3O3S/c1-15(25-12-16-8-17(13-25)10-18(9-16)14-25)26-22(29)19-4-5-20-21(11-19)27-24(32)28(23(20)30)6-3-7-31-2/h4-5,11,15-18H,3,6-10,12-14H2,1-2H3,(H,26,29)(H,27,32)