N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C3CC3)C4=CC=C(C=C4)OC)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C3CC3)C4=CC=C(C=C4)OC)NC1=S

InChI

InChI=1S/C21H21N3O3S/c1-24-20(26)16-10-7-14(11-17(16)22-21(24)28)19(25)23-18(12-3-4-12)13-5-8-15(27-2)9-6-13/h5-12,18H,3-4H2,1-2H3,(H,22,28)(H,23,25)