N-(1,3-benzothiazol-2-ylmethyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]propanamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[[(E)-3-(4-methoxyphenyl)acryloyl]amino]propionamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=NC2=CC=CC=C2S1)NC(=O)C=CC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)NCC1=NC2=CC=CC=C2S1)NC(=O)/C=C/C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21N3O3S/c1-14(23-19(25)12-9-15-7-10-16(27-2)11-8-15)21(26)22-13-20-24-17-5-3-4-6-18(17)28-20/h3-12,14H,13H2,1-2H3,(H,22,26)(H,23,25)/b12-9+