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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=C(C=C3)NC(=S)N4CCC(CC4)[NH+]5CCCCC5)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=C(C=C3)NC(=S)N4CCC(CC4)[NH+]5CCCCC5)C(=O)N2CC1

InChI

InChI=1S/C24H33N5OS/c30-23-20-17-18(8-9-21(20)26-22-7-3-1-6-14-29(22)23)25-24(31)28-15-10-19(11-16-28)27-12-4-2-5-13-27/h8-9,17,19H,1-7,10-16H2,(H,25,31)/p+1