methyl N'-(2,2-dimethoxyethyl)-N-[4-(4-methoxyphenyl)piperazin-1-yl]carbamimidothioate

Systemtic Name: methyl N'-(2,2-dimethoxyethyl)-N-[4-(4-methoxyphenyl)piperazin-1-yl]carbamimidothioate Openeye Name: 3-(2,2-dimethoxyethyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methyl-isothiourea CAS Name: N'-(2,2-dimethoxyethyl)-N-[4-(4-methoxyphenyl)-1-piperazinyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(2,2-dimethoxyethyl)-N-[4-(4-methoxyphenyl)piperazin-1-yl]carbamimidothioate Traditional Name: 3-(2,2-dimethoxyethyl)-1-[4-(4-methoxyphenyl)piperazino]-2-methyl-isothiourea Formula: C17H28N4O3S MolecularWeight: 368.49422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)NC(=NCC(OC)OC)SC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)NC(=NCC(OC)OC)SC

InChI

InChI=1S/C17H28N4O3S/c1-22-15-7-5-14(6-8-15)20-9-11-21(12-10-20)19-17(25-4)18-13-16(23-2)24-3/h5-8,16H,9-13H2,1-4H3,(H,18,19)