N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide Openeye Name: N-[(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]-2-methylsulfanyl-thiazole-4-carboxamide CAS Name: N-[(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidinyl]-2-(methylthio)-4-thiazolecarboxamide IUPAC Name: N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide Traditional Name: N-[(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]-2-(methylthio)thiazole-4-carboxamide Formula: C17H18N4OS3 MolecularWeight: 390.54602

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CS1)C(=O)NC2CCCN(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CSC1=NC(=CS1)C(=O)N[C@H]2CCCN(C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H18N4OS3/c1-23-17-20-13(10-24-17)15(22)18-11-5-4-8-21(9-11)16-19-12-6-2-3-7-14(12)25-16/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,18,22)/t11-/m0/s1