N-(3-cyclohexyloxypropyl)-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3-cyclohexyloxypropyl)-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[3-(cyclohexoxy)propyl]-4-oxo-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-cyclohexyloxypropyl)-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-cyclohexyloxypropyl)-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[3-(cyclohexoxy)propyl]-4-keto-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OCCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)OCCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O3S/c30-24(27-15-7-17-32-21-10-5-2-6-11-21)20-12-13-22-23(18-20)28-26(33)29(25(22)31)16-14-19-8-3-1-4-9-19/h1,3-4,8-9,12-13,18,21H,2,5-7,10-11,14-17H2,(H,27,30)(H,28,33)