12-oxidanylidene-N-(2-phenylsulfanylethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: 12-oxidanylidene-N-(2-phenylsulfanylethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: 12-oxo-N-(2-phenylsulfanylethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: 12-oxo-N-[2-(phenylthio)ethyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: 12-oxo-N-(2-phenylsulfanylethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-[2-(phenylthio)ethyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NCCSC4=CC=CC=C4)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NCCSC4=CC=CC=C4)C(=O)N2CC1

InChI

InChI=1S/C22H23N3O2S/c26-21(23-12-14-28-17-7-3-1-4-8-17)16-10-11-18-19(15-16)24-20-9-5-2-6-13-25(20)22(18)27/h1,3-4,7-8,10-11,15H,2,5-6,9,12-14H2,(H,23,26)