N-[4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2-methyl-propanamide

Systemtic Name: N-[4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2-methyl-propanamide Openeye Name: N-[4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2-methyl-propanamide CAS Name: N-[4-[[[[(E)-3-(2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-methylpropanamide IUPAC Name: N-[4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2-methylpropanamide Traditional Name: N-[4-[[(E)-3-(2-methoxyphenyl)acryloyl]thiocarbamoylamino]phenyl]-2-methyl-propionamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2OC

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2OC

InChI

InChI=1S/C21H23N3O3S/c1-14(2)20(26)22-16-9-11-17(12-10-16)23-21(28)24-19(25)13-8-15-6-4-5-7-18(15)27-3/h4-14H,1-3H3,(H,22,26)(H2,23,24,25,28)/b13-8+