3-[1-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]piperidin-3-yl]-N-cyclopropyl-propanamide

Systemtic Name: 3-[1-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]piperidin-3-yl]-N-cyclopropyl-propanamide Openeye Name: 3-[1-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]-3-piperidyl]-N-cyclopropyl-propanamide CAS Name: 3-[1-[(E)-3-(1,3-benzothiazol-2-yl)-1-oxoprop-2-enyl]-3-piperidinyl]-N-cyclopropylpropanamide IUPAC Name: 3-[1-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]piperidin-3-yl]-N-cyclopropylpropanamide Traditional Name: 3-[1-[(E)-3-(1,3-benzothiazol-2-yl)acryloyl]-3-piperidyl]-N-cyclopropyl-propionamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=NC3=CC=CC=C3S2)CCC(=O)NC4CC4

Isomeric SMILES

C1CC(CN(C1)C(=O)/C=C/C2=NC3=CC=CC=C3S2)CCC(=O)NC4CC4

InChI

InChI=1S/C21H25N3O2S/c25-19(22-16-8-9-16)10-7-15-4-3-13-24(14-15)21(26)12-11-20-23-17-5-1-2-6-18(17)27-20/h1-2,5-6,11-12,15-16H,3-4,7-10,13-14H2,(H,22,25)/b12-11+