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

Systemtic Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(2-methylphenyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(o-tolyl)-1-(2-thienylmethyl)thiourea CAS Name: 1-[2-(1-azepan-1-iumyl)ethyl]-3-(2-methylphenyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(2-methylphenyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(o-tolyl)-1-(2-thenyl)thiourea Formula: C21H30N3S2+ MolecularWeight: 388.613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N(CC[NH+]2CCCCCC2)CC3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N(CC[NH+]2CCCCCC2)CC3=CC=CS3

InChI

InChI=1S/C21H29N3S2/c1-18-9-4-5-11-20(18)22-21(25)24(17-19-10-8-16-26-19)15-14-23-12-6-2-3-7-13-23/h4-5,8-11,16H,2-3,6-7,12-15,17H2,1H3,(H,22,25)/p+1