1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamodithioate

Systemtic Name: 1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamodithioate Openeye Name: 1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamodithioate CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]carbamodithioic acid 1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethyl ester IUPAC Name: 1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamodithioate Traditional Name: N-homoveratrylcarbamodithioic acid 1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethyl ester Formula: C18H21N4O2S2+ MolecularWeight: 389.51494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)SCC2=C[N+]3=CC=CN=C3N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)SCC2=C[N+]3=CC=CN=C3N2)OC

InChI

InChI=1S/C18H20N4O2S2/c1-23-15-5-4-13(10-16(15)24-2)6-8-20-18(25)26-12-14-11-22-9-3-7-19-17(22)21-14/h3-5,7,9-11H,6,8,12H2,1-2H3,(H,20,25)/p+1