1-[3-(azepan-1-ium-1-yl)propyl]-3-(2,5-dimethylphenyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-(2,5-dimethylphenyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-(2,5-dimethylphenyl)-1-(2-thienylmethyl)thiourea CAS Name: 1-[3-(1-azepan-1-iumyl)propyl]-3-(2,5-dimethylphenyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-(2,5-dimethylphenyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-(2,5-dimethylphenyl)-1-(2-thenyl)thiourea Formula: C23H34N3S2+ MolecularWeight: 416.66616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3S2/c1-19-10-11-20(2)22(17-19)24-23(27)26(18-21-9-7-16-28-21)15-8-14-25-12-5-3-4-6-13-25/h7,9-11,16-17H,3-6,8,12-15,18H2,1-2H3,(H,24,27)/p+1