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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC12CC3CC(C1)CC(C3)C2)C(=O)C4=CC5=C(C=C4)C(=O)N(C(=S)N5)CCCOC

Isomeric SMILES

CN(CC12CC3CC(C1)CC(C3)C2)C(=O)C4=CC5=C(C=C4)C(=O)N(C(=S)N5)CCCOC

InChI

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