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

Systemtic Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-1-(furan-2-ylmethyl)-3-(4-methylphenyl)thiourea Openeye Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-1-(2-furylmethyl)-3-(p-tolyl)thiourea CAS Name: 1-[2-(1-azepan-1-iumyl)ethyl]-1-(2-furanylmethyl)-3-(4-methylphenyl)thiourea IUPAC Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-1-(furan-2-ylmethyl)-3-(4-methylphenyl)thiourea Traditional Name: 1-[2-(azepan-1-ium-1-yl)ethyl]-1-(2-furfuryl)-3-(p-tolyl)thiourea Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N(CC[NH+]2CCCCCC2)CC3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N(CC[NH+]2CCCCCC2)CC3=CC=CO3

InChI

InChI=1S/C21H29N3OS/c1-18-8-10-19(11-9-18)22-21(26)24(17-20-7-6-16-25-20)15-14-23-12-4-2-3-5-13-23/h6-11,16H,2-5,12-15,17H2,1H3,(H,22,26)/p+1