4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4-propyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[4-(3-methoxyphenyl)thiazol-2-yl]-4-propyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[4-(3-methoxyphenyl)-2-thiazolyl]-4-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4-propylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[4-(3-methoxyphenyl)thiazol-2-yl]-4-propyl-piperazin-4-ium-1-carbothioamide Formula: C18H25N4OS2+ MolecularWeight: 377.5473

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCN(CC1)C(=S)N)C2=NC(=CS2)C3=CC(=CC=C3)OC

Isomeric SMILES

CCC[N+]1(CCN(CC1)C(=S)N)C2=NC(=CS2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C18H24N4OS2/c1-3-9-22(10-7-21(8-11-22)17(19)24)18-20-16(13-25-18)14-5-4-6-15(12-14)23-2/h4-6,12-13H,3,7-11H2,1-2H3,(H-,19,24)/p+1