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

Systemtic Name: 4-cyclohexyl-N-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-cyclohexyl-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)piperazin-4-ium-1-carbothioamide CAS Name: 4-cyclohexyl-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-cyclohexyl-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-cyclohexyl-N-(12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)piperazin-4-ium-1-carbothioamide Formula: C24H34N5OS+ MolecularWeight: 440.62466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=S)NC3=CC4=C(C=C3)N=C5CCCCCN5C4=O

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=S)NC3=CC4=C(C=C3)N=C5CCCCCN5C4=O

InChI

InChI=1S/C24H33N5OS/c30-23-20-17-18(10-11-21(20)26-22-9-5-2-6-12-29(22)23)25-24(31)28-15-13-27(14-16-28)19-7-3-1-4-8-19/h10-11,17,19H,1-9,12-16H2,(H,25,31)/p+1