N-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbothioyl-3,5-dimethoxy-benzamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbothioyl-3,5-dimethoxy-benzamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbothioyl]-3,5-dimethoxy-benzamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-sulfanylidenemethyl]-3,5-dimethoxybenzamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbothioyl]-3,5-dimethoxybenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbothioyl]-3,5-dimethoxy-benzamide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC(=S)N2CCC(CC2)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC(=S)N2CCC(CC2)C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C22H23N3O3S2/c1-27-16-11-15(12-17(13-16)28-2)20(26)24-22(29)25-9-7-14(8-10-25)21-23-18-5-3-4-6-19(18)30-21/h3-6,11-14H,7-10H2,1-2H3,(H,24,26,29)