N-(2-methyl-1,3-benzothiazol-6-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-1-(1-oxo-3-phenylpropyl)-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide Traditional Name: 1-hydrocinnamoyl-N-(2-methyl-1,3-benzothiazol-6-yl)isonipecotamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S/c1-16-24-20-9-8-19(15-21(20)29-16)25-23(28)18-11-13-26(14-12-18)22(27)10-7-17-5-3-2-4-6-17/h2-6,8-9,15,18H,7,10-14H2,1H3,(H,25,28)