3-(butylcarbamothioylamino)-N-(10-prop-2-ynyl-1,2,3,4-tetrahydroacridin-10-ium-1-yl)benzamide

Systemtic Name: 3-(butylcarbamothioylamino)-N-(10-prop-2-ynyl-1,2,3,4-tetrahydroacridin-10-ium-1-yl)benzamide Openeye Name: 3-(butylcarbamothioylamino)-N-(10-prop-2-ynyl-1,2,3,4-tetrahydroacridin-10-ium-1-yl)benzamide CAS Name: 3-[[butylamino(sulfanylidene)methyl]amino]-N-(10-prop-2-ynyl-1,2,3,4-tetrahydroacridin-10-ium-1-yl)benzamide IUPAC Name: 3-(butylcarbamothioylamino)-N-(10-prop-2-ynyl-1,2,3,4-tetrahydroacridin-10-ium-1-yl)benzamide Traditional Name: 3-(butylthiocarbamoylamino)-N-(10-propargyl-1,2,3,4-tetrahydroacridin-10-ium-1-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)NC2CCCC3=[N+](C4=CC=CC=C4C=C23)CC#C

Isomeric SMILES

CCCCNC(=S)NC1=CC=CC(=C1)C(=O)NC2CCCC3=[N+](C4=CC=CC=C4C=C23)CC#C

InChI

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