N-(1,3-benzothiazol-2-ylmethyl)-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C19H16N4O2S2 MolecularWeight: 396.48594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H16N4O2S2/c24-16(20-11-17-21-14-7-3-4-8-15(14)27-17)9-10-23-18(25)12-5-1-2-6-13(12)22-19(23)26/h1-8H,9-11H2,(H,20,24)(H,22,26)