1-[2-(azepan-1-ium-1-yl)ethyl]-3-(4-ethylphenyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(4-ethylphenyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(4-ethylphenyl)-1-(2-thienylmethyl)thiourea CAS Name: 1-[2-(1-azepan-1-iumyl)ethyl]-3-(4-ethylphenyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(4-ethylphenyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(4-ethylphenyl)-1-(2-thenyl)thiourea Formula: C22H32N3S2+ MolecularWeight: 402.63958

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(CC[NH+]2CCCCCC2)CC3=CC=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CC[NH+]2CCCCCC2)CC3=CC=CS3

InChI

InChI=1S/C22H31N3S2/c1-2-19-9-11-20(12-10-19)23-22(26)25(18-21-8-7-17-27-21)16-15-24-13-5-3-4-6-14-24/h7-12,17H,2-6,13-16,18H2,1H3,(H,23,26)/p+1