N-methyl-4-oxidanylidene-N-(2-phenoxyethyl)-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-methyl-4-oxidanylidene-N-(2-phenoxyethyl)-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-methyl-4-oxo-N-(2-phenoxyethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-methyl-4-oxo-N-(2-phenoxyethyl)-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-methyl-4-oxo-N-(2-phenoxyethyl)-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-methyl-N-(2-phenoxyethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

Isomeric SMILES

CN(CCOC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

InChI

InChI=1S/C21H21N3O3S/c1-3-11-24-20(26)17-10-9-15(14-18(17)22-21(24)28)19(25)23(2)12-13-27-16-7-5-4-6-8-16/h3-10,14H,1,11-13H2,2H3,(H,22,28)