4-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(2-benzylsulfanylethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-N-[2-(phenylmethylthio)ethyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[2-(benzylthio)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCSCC3=CC=CC=C3)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCSCC3=CC=CC=C3)NC1=S

InChI

InChI=1S/C21H21N3O2S2/c1-2-11-24-20(26)17-9-8-16(13-18(17)23-21(24)27)19(25)22-10-12-28-14-15-6-4-3-5-7-15/h2-9,13H,1,10-12,14H2,(H,22,25)(H,23,27)