3-[(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)carbamothioylamino]propyl-dipropyl-azanium

Systemtic Name: 3-[(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)carbamothioylamino]propyl-dipropyl-azanium Openeye Name: 3-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)carbamothioylamino]propyl-dipropyl-ammonium CAS Name: 3-[[[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)amino]-sulfanylidenemethyl]amino]propyl-dipropylammonium IUPAC Name: 3-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)carbamothioylamino]propyl-dipropylazanium Traditional Name: 3-[(12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiocarbamoylamino]propyl-dipropyl-ammonium Formula: C23H36N5OS+ MolecularWeight: 430.62984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CCCNC(=S)NC1=CC2=C(C=C1)N=C3CCCCCN3C2=O

Isomeric SMILES

CCC[NH+](CCC)CCCNC(=S)NC1=CC2=C(C=C1)N=C3CCCCCN3C2=O

InChI

InChI=1S/C23H35N5OS/c1-3-13-27(14-4-2)15-8-12-24-23(30)25-18-10-11-20-19(17-18)22(29)28-16-7-5-6-9-21(28)26-20/h10-11,17H,3-9,12-16H2,1-2H3,(H2,24,25,30)/p+1