N-[4-azanyl-3,5-bis(chloranyl)phenyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: N-[4-azanyl-3,5-bis(chloranyl)phenyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-(4-amino-3,5-dichloro-phenyl)-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-(4-amino-3,5-dichlorophenyl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-(4-amino-3,5-dichlorophenyl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-(4-amino-3,5-dichloro-phenyl)-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C17H14Cl2N4O2S MolecularWeight: 409.28966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NC3=CC(=C(C(=C3)Cl)N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NC3=CC(=C(C(=C3)Cl)N)Cl

InChI

InChI=1S/C17H14Cl2N4O2S/c18-11-7-9(8-12(19)15(11)20)21-14(24)5-6-23-16(25)10-3-1-2-4-13(10)22-17(23)26/h1-4,7-8H,5-6,20H2,(H,21,24)(H,22,26)