7-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-[[2-(2-furylmethylamino)-2-oxo-ethyl]carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[[[2-(2-furanylmethylamino)-2-oxoethyl]amino]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[[2-(furan-2-ylmethylamino)-2-oxoethyl]carbamoyl]-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-[[2-(2-furfurylamino)-2-keto-ethyl]carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C19H17N4O4S- MolecularWeight: 397.42768

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NCC(=O)NCC3=CC=CO3)[O-]

Isomeric SMILES

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NCC(=O)NCC3=CC=CO3)[O-]

InChI

InChI=1S/C19H18N4O4S/c1-2-7-23-18(26)14-6-5-12(9-15(14)22-19(23)28)17(25)21-11-16(24)20-10-13-4-3-8-27-13/h2-6,8-9,26H,1,7,10-11H2,(H,20,24)(H,21,25)/p-1