N-[3-[(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamothioylamino]propyl]-3a,7a-dihydro-3H-benzotriazole-5-carboxamide

Systemtic Name: N-[3-[(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamothioylamino]propyl]-3a,7a-dihydro-3H-benzotriazole-5-carboxamide Openeye Name: N-[3-[(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamothioylamino]propyl]-3a,7a-dihydro-3H-benzotriazole-5-carboxamide CAS Name: N-[3-[[[(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)amino]-sulfanylidenemethyl]amino]propyl]-3a,7a-dihydro-3H-benzotriazole-5-carboxamide IUPAC Name: N-[3-[(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamothioylamino]propyl]-3a,7a-dihydro-3H-benzotriazole-5-carboxamide Traditional Name: N-[3-[(10-propargyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)thiocarbamoylamino]propyl]-3a,7a-dihydro-3H-benzotriazole-5-carboxamide Formula: C27H30N7OS+ MolecularWeight: 500.6384

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Descriptors Computed from Structure

Canonical SMILES:

C#CC[N+]1=C2C=CC(=CC2=CC3=C1CCCC3)NC(=S)NCCCNC(=O)C4=CC5C(C=C4)N=NN5

Isomeric SMILES

C#CC[N+]1=C2C=CC(=CC2=CC3=C1CCCC3)NC(=S)NCCCNC(=O)C4=CC5C(C=C4)N=NN5

InChI

InChI=1S/C27H29N7OS/c1-2-14-34-24-7-4-3-6-18(24)15-20-16-21(9-11-25(20)34)30-27(36)29-13-5-12-28-26(35)19-8-10-22-23(17-19)32-33-31-22/h1,8-11,15-17,22-23H,3-7,12-14H2,(H3-,28,29,30,31,32,35,36)/p+1