2-(4-methoxyphenyl)ethanoyl-methyl-(methylaminosulfanylcarbonyl)-[3-(sulfanylamino)butyl]azanium

Systemtic Name: 2-(4-methoxyphenyl)ethanoyl-methyl-(methylaminosulfanylcarbonyl)-[3-(sulfanylamino)butyl]azanium Openeye Name: [2-(4-methoxyphenyl)acetyl]-methyl-(methylaminosulfanylcarbonyl)-[3-(sulfanylamino)butyl]ammonium CAS Name: 3-(mercaptoamino)butyl-[2-(4-methoxyphenyl)-1-oxoethyl]-methyl-[(methylaminothio)-oxomethyl]ammonium IUPAC Name: [2-(4-methoxyphenyl)acetyl]-methyl-(methylaminosulfanylcarbonyl)-[3-(sulfanylamino)butyl]azanium Traditional Name: 3-(mercaptoamino)butyl-[2-(4-methoxyphenyl)acetyl]-methyl-(methylaminothio)carbonyl-ammonium Formula: C16H26N3O3S2+ MolecularWeight: 372.52594

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[N+](C)(C(=O)CC1=CC=C(C=C1)OC)C(=O)SNC)NS

Isomeric SMILES

CC(CC[N+](C)(C(=O)CC1=CC=C(C=C1)OC)C(=O)SNC)NS

InChI

InChI=1S/C16H26N3O3S2/c1-12(18-23)9-10-19(3,16(21)24-17-2)15(20)11-13-5-7-14(22-4)8-6-13/h5-8,12,17-18,23H,9-11H2,1-4H3/q+1