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

Systemtic Name: 3-methyl-4-oxidanylidene-N-[phenyl(thiophen-2-yl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-methyl-4-oxo-N-[phenyl(2-thienyl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-methyl-4-oxo-N-[phenyl(thiophen-2-yl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-methyl-4-oxo-N-[phenyl(thiophen-2-yl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-methyl-N-[phenyl(2-thienyl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O2S2/c1-24-20(26)15-10-9-14(12-16(15)22-21(24)27)19(25)23-18(17-8-5-11-28-17)13-6-3-2-4-7-13/h2-12,18H,1H3,(H,22,27)(H,23,25)