(E)-3-(1,3-benzothiazol-2-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-N-[4-(1-piperidyl)phenyl]prop-2-enamide CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-N-[4-(1-piperidinyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-N-(4-piperidinophenyl)acrylamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C=CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)/C=C/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3OS/c25-20(12-13-21-23-18-6-2-3-7-19(18)26-21)22-16-8-10-17(11-9-16)24-14-4-1-5-15-24/h2-3,6-13H,1,4-5,14-15H2,(H,22,25)/b13-12+