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

Systemtic Name: N-[(4-fluorophenyl)-thiophen-2-yl-methyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(4-fluorophenyl)-(2-thienyl)methyl]-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[(4-fluorophenyl)-(2-thienyl)methyl]-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H16FN3O2S2 MolecularWeight: 425.499043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4)NC1=S

InChI

InChI=1S/C21H16FN3O2S2/c1-25-20(27)15-9-6-13(11-16(15)23-21(25)28)19(26)24-18(17-3-2-10-29-17)12-4-7-14(22)8-5-12/h2-11,18H,1H3,(H,23,28)(H,24,26)