N-(4-acetamido-3-chloranyl-phenyl)-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(4-acetamido-3-chlorophenyl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCCOC)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCCOC)Cl

InChI

InChI=1S/C21H21ClN4O4S/c1-12(27)23-17-7-5-14(11-16(17)22)24-19(28)13-4-6-15-18(10-13)25-21(31)26(20(15)29)8-3-9-30-2/h4-7,10-11H,3,8-9H2,1-2H3,(H,23,27)(H,24,28)(H,25,31)