1-[2-(azepan-1-ium-1-yl)ethyl]-3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(4-chloro-2-methoxy-5-methyl-phenyl)-1-(2-thienylmethyl)thiourea CAS Name: 1-[2-(1-azepan-1-iumyl)ethyl]-3-(4-chloro-2-methoxy-5-methylphenyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(4-chloro-2-methoxy-5-methylphenyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(4-chloro-2-methoxy-5-methyl-phenyl)-1-(2-thenyl)thiourea Formula: C22H31ClN3OS2+ MolecularWeight: 453.08404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=S)N(CC[NH+]2CCCCCC2)CC3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=S)N(CC[NH+]2CCCCCC2)CC3=CC=CS3

InChI

InChI=1S/C22H30ClN3OS2/c1-17-14-20(21(27-2)15-19(17)23)24-22(28)26(16-18-8-7-13-29-18)12-11-25-9-5-3-4-6-10-25/h7-8,13-15H,3-6,9-12,16H2,1-2H3,(H,24,28)/p+1