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

Systemtic Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(p-tolyl)-1-(2-thienylmethyl)thiourea CAS Name: 1-[2-(1-azepan-1-iumyl)ethyl]-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-3-(p-tolyl)-1-(2-thenyl)thiourea Formula: C21H30N3S2+ MolecularWeight: 388.613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N(CC[NH+]2CCCCCC2)CC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N(CC[NH+]2CCCCCC2)CC3=CC=CS3

InChI

InChI=1S/C21H29N3S2/c1-18-8-10-19(11-9-18)22-21(25)24(17-20-7-6-16-26-20)15-14-23-12-4-2-3-5-13-23/h6-11,16H,2-5,12-15,17H2,1H3,(H,22,25)/p+1