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

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[4-(dimethylamino)benzyl]-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCCOC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCCOC

InChI

InChI=1S/C22H26N4O3S/c1-25(2)17-8-5-15(6-9-17)14-23-20(27)16-7-10-18-19(13-16)24-22(30)26(21(18)28)11-4-12-29-3/h5-10,13H,4,11-12,14H2,1-3H3,(H,23,27)(H,24,30)