4-ethyl-N-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-ethyl-N-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-ethyl-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)piperazin-4-ium-1-carbothioamide CAS Name: 4-ethyl-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-ethyl-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-ethyl-N-(12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)piperazin-4-ium-1-carbothioamide Formula: C20H28N5OS+ MolecularWeight: 386.53422

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O

InChI

InChI=1S/C20H27N5OS/c1-2-23-10-12-24(13-11-23)20(27)21-15-7-8-17-16(14-15)19(26)25-9-5-3-4-6-18(25)22-17/h7-8,14H,2-6,9-13H2,1H3,(H,21,27)/p+1