ethyl 3-[(4-chlorophenyl)carbamothioylamino]-4-oxidanylidene-quinazoline-2-carboxylate

Systemtic Name: ethyl 3-[(4-chlorophenyl)carbamothioylamino]-4-oxidanylidene-quinazoline-2-carboxylate Openeye Name: ethyl 3-[(4-chlorophenyl)carbamothioylamino]-4-oxo-quinazoline-2-carboxylate CAS Name: 3-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-4-oxo-2-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-chlorophenyl)carbamothioylamino]-4-oxoquinazoline-2-carboxylate Traditional Name: 3-[(4-chlorophenyl)thiocarbamoylamino]-4-keto-quinazoline-2-carboxylic acid ethyl ester Formula: C18H15ClN4O3S MolecularWeight: 402.8547

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2C(=O)N1NC(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2C(=O)N1NC(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClN4O3S/c1-2-26-17(25)15-21-14-6-4-3-5-13(14)16(24)23(15)22-18(27)20-12-9-7-11(19)8-10-12/h3-10H,2H2,1H3,(H2,20,22,27)