4-(1,3-benzothiazol-2-yl)-N-[(2S)-2-ethylhexyl]piperidine-1-carbothioamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-[(2S)-2-ethylhexyl]piperidine-1-carbothioamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-[(2S)-2-ethylhexyl]piperidine-1-carbothioamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[(2S)-2-ethylhexyl]-1-piperidinecarbothioamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-[(2S)-2-ethylhexyl]piperidine-1-carbothioamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-[(2S)-2-ethylhexyl]piperidine-1-carbothioamide Formula: C21H31N3S2 MolecularWeight: 389.62094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)N1CCC(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)N1CCC(CC1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H31N3S2/c1-3-5-8-16(4-2)15-22-21(25)24-13-11-17(12-14-24)20-23-18-9-6-7-10-19(18)26-20/h6-7,9-10,16-17H,3-5,8,11-15H2,1-2H3,(H,22,25)/t16-/m0/s1