N-[3-[methyl-(phenylmethyl)amino]propyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[3-[methyl-(phenylmethyl)amino]propyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[3-[benzyl(methyl)amino]propyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-[methyl-(phenylmethyl)amino]propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[3-[benzyl(methyl)amino]propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[3-[benzyl(methyl)amino]propyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=CC2=C(C=C1)C(=O)NC(=S)N2)CC3=CC=CC=C3

Isomeric SMILES

CN(CCCNC(=O)C1=CC2=C(C=C1)C(=O)NC(=S)N2)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2S/c1-24(13-14-6-3-2-4-7-14)11-5-10-21-18(25)15-8-9-16-17(12-15)22-20(27)23-19(16)26/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,25)(H2,22,23,26,27)