7-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-[[5-[(4-chlorophenyl)methyl]thiazol-2-yl]carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[[[5-[(4-chlorophenyl)methyl]-2-thiazolyl]amino]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-[[5-(4-chlorobenzyl)thiazol-2-yl]carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C22H16ClN4O2S2- MolecularWeight: 467.97104

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)Cl)[O-]

Isomeric SMILES

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)Cl)[O-]

InChI

InChI=1S/C22H17ClN4O2S2/c1-2-9-27-20(29)17-8-5-14(11-18(17)25-22(27)30)19(28)26-21-24-12-16(31-21)10-13-3-6-15(23)7-4-13/h2-8,11-12,29H,1,9-10H2,(H,24,26,28)/p-1