2-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-N-phenethyl-benzamide

Systemtic Name: 2-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-N-phenethyl-benzamide Openeye Name: 2-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-N-phenethyl-benzamide CAS Name: 2-[[(E)-3-(1,3-benzothiazol-2-yl)-1-oxoprop-2-enyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-N-phenethylbenzamide Traditional Name: 2-[[(E)-3-(1,3-benzothiazol-2-yl)acryloyl]amino]-N-phenethyl-benzamide Formula: C25H21N3O2S MolecularWeight: 427.51814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=O)C=CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=O)/C=C/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H21N3O2S/c29-23(14-15-24-28-21-12-6-7-13-22(21)31-24)27-20-11-5-4-10-19(20)25(30)26-17-16-18-8-2-1-3-9-18/h1-15H,16-17H2,(H,26,30)(H,27,29)/b15-14+