3-(butylcarbamothioylamino)-N-(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)benzamide

Systemtic Name: 3-(butylcarbamothioylamino)-N-(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)benzamide Openeye Name: 3-(butylcarbamothioylamino)-N-(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)benzamide CAS Name: 3-[[butylamino(sulfanylidene)methyl]amino]-N-(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)benzamide IUPAC Name: 3-(butylcarbamothioylamino)-N-(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)benzamide Traditional Name: 3-(butylthiocarbamoylamino)-N-(10-propargyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)benzamide Formula: C28H31N4OS+ MolecularWeight: 471.63694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC=CC(=C1)C(=O)NC2=CC3=CC4=C(CCCC4)[N+](=C3C=C2)CC#C

Isomeric SMILES

CCCCNC(=S)NC1=CC=CC(=C1)C(=O)NC2=CC3=CC4=C(CCCC4)[N+](=C3C=C2)CC#C

InChI

InChI=1S/C28H30N4OS/c1-3-5-15-29-28(34)31-23-11-8-10-21(18-23)27(33)30-24-13-14-26-22(19-24)17-20-9-6-7-12-25(20)32(26)16-4-2/h2,8,10-11,13-14,17-19H,3,5-7,9,12,15-16H2,1H3,(H2-,29,30,31,33,34)/p+1