4-oxidanylidene-N-[2-(4-propan-2-yloxyphenyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-[2-(4-propan-2-yloxyphenyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(4-isopropoxyphenyl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-N-[2-(4-propan-2-yloxyphenyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-N-[2-(4-propan-2-yloxyphenyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(4-isopropoxyphenyl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3

InChI

InChI=1S/C20H21N3O3S/c1-12(2)26-15-6-3-13(4-7-15)9-10-21-18(24)14-5-8-16-17(11-14)22-20(27)23-19(16)25/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)(H2,22,23,25,27)