3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]propanamide

Systemtic Name: 3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]propanamide Openeye Name: 3-(7-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]propanamide CAS Name: 3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide IUPAC Name: 3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide Traditional Name: 3-(7-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[2-(2,6-dimethylanilino)-2-keto-ethyl]propionamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)CCN2C(=O)C3=C(C=C(C=C3)Cl)NC2=S

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)CCN2C(=O)C3=C(C=C(C=C3)Cl)NC2=S

InChI

InChI=1S/C21H21ClN4O3S/c1-12-4-3-5-13(2)19(12)25-18(28)11-23-17(27)8-9-26-20(29)15-7-6-14(22)10-16(15)24-21(26)30/h3-7,10H,8-9,11H2,1-2H3,(H,23,27)(H,24,30)(H,25,28)