4-(1,3-benzothiazol-2-ylmethyl)-N-butyl-piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-butyl-piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-butyl-piperazine-1-carbothioamide CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-butyl-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-butylpiperazine-1-carbothioamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-butyl-piperazine-1-carbothioamide Formula: C17H24N4S2 MolecularWeight: 348.52926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H24N4S2/c1-2-3-8-18-17(22)21-11-9-20(10-12-21)13-16-19-14-6-4-5-7-15(14)23-16/h4-7H,2-3,8-13H2,1H3,(H,18,22)