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

Systemtic Name: N-[3-[methyl-(phenylmethyl)amino]propyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[3-[benzyl(methyl)amino]propyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-[methyl-(phenylmethyl)amino]propyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[3-[benzyl(methyl)amino]propyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[3-[benzyl(methyl)amino]propyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2S/c1-3-13-27-22(29)19-11-10-18(15-20(19)25-23(27)30)21(28)24-12-7-14-26(2)16-17-8-5-4-6-9-17/h3-6,8-11,15H,1,7,12-14,16H2,2H3,(H,24,28)(H,25,30)