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

Systemtic Name: 2-[(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)carbamothioylamino]ethyl-dipropyl-azanium Openeye Name: 2-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)carbamothioylamino]ethyl-dipropyl-ammonium CAS Name: 2-[[[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)amino]-sulfanylidenemethyl]amino]ethyl-dipropylammonium IUPAC Name: 2-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)carbamothioylamino]ethyl-dipropylazanium Traditional Name: 2-[(12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiocarbamoylamino]ethyl-dipropyl-ammonium Formula: C22H34N5OS+ MolecularWeight: 416.60326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5OS/c1-3-12-26(13-4-2)15-11-23-22(29)24-17-9-10-19-18(16-17)21(28)27-14-7-5-6-8-20(27)25-19/h9-10,16H,3-8,11-15H2,1-2H3,(H2,23,24,29)/p+1