7-[(3-chloranyl-4-methoxy-phenyl)carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[(3-chloranyl-4-methoxy-phenyl)carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-[(3-chloro-4-methoxy-phenyl)carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[(3-chloro-4-methoxyanilino)-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[(3-chloro-4-methoxyphenyl)carbamoyl]-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-[(3-chloro-4-methoxy-phenyl)carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C19H15ClN3O3S- MolecularWeight: 400.8587

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC=C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC=C)Cl

InChI

InChI=1S/C19H16ClN3O3S/c1-3-8-23-18(25)13-6-4-11(9-15(13)22-19(23)27)17(24)21-12-5-7-16(26-2)14(20)10-12/h3-7,9-10,25H,1,8H2,2H3,(H,21,24)/p-1