3-methyl-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-methyl-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-methyl-N-[(2R)-2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-methyl-N-[(2R)-2-(4-methyl-1-piperidinyl)-2-thiophen-2-ylethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-methyl-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-methyl-N-[(2R)-2-(4-methylpiperidino)-2-(2-thienyl)ethyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C)C4=CC=CS4

Isomeric SMILES

CC1CCN(CC1)[C@H](CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C)C4=CC=CS4

InChI

InChI=1S/C22H26N4O2S2/c1-14-7-9-26(10-8-14)18(19-4-3-11-30-19)13-23-20(27)15-5-6-16-17(12-15)24-22(29)25(2)21(16)28/h3-6,11-12,14,18H,7-10,13H2,1-2H3,(H,23,27)(H,24,29)/t18-/m1/s1