2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide

Systemtic Name: 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Openeye Name: 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide CAS Name: 2-[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 2-[[(E)-3-(4-methoxyphenyl)acryloyl]amino]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)N=C(S2)SC)NC(=O)C=CC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)N=C(S2)SC)NC(=O)/C=C/C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21N3O3S2/c1-13(22-19(25)11-6-14-4-8-16(27-2)9-5-14)20(26)23-15-7-10-17-18(12-15)29-21(24-17)28-3/h4-13H,1-3H3,(H,22,25)(H,23,26)/b11-6+