N-[4-azanyl-3,5-bis(chloranyl)phenyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[4-azanyl-3,5-bis(chloranyl)phenyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(4-amino-3,5-dichloro-phenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(4-amino-3,5-dichlorophenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(4-amino-3,5-dichlorophenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-(4-amino-3,5-dichloro-phenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C18H14Cl2N4O2S MolecularWeight: 421.30036

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C(=C3)Cl)N)Cl)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C(=C3)Cl)N)Cl)NC1=S

InChI

InChI=1S/C18H14Cl2N4O2S/c1-2-5-24-17(26)11-4-3-9(6-14(11)23-18(24)27)16(25)22-10-7-12(19)15(21)13(20)8-10/h2-4,6-8H,1,5,21H2,(H,22,25)(H,23,27)