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

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-butyl-piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-butyl-piperazine-1-carbothioamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-butyl-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-butylpiperazine-1-carbothioamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-butyl-piperazine-1-carbothioamide Formula: C16H22N4S2 MolecularWeight: 334.50268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H22N4S2/c1-2-3-8-17-15(21)19-9-11-20(12-10-19)16-18-13-6-4-5-7-14(13)22-16/h4-7H,2-3,8-12H2,1H3,(H,17,21)