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

Systemtic Name: N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-methylbutanamide Traditional Name: N-[4-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]phenyl]-3-methyl-butyramide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-15(2)14-21(27)23-17-7-9-18(10-8-17)24-22(29)25-20(26)13-6-16-4-11-19(28-3)12-5-16/h4-13,15H,14H2,1-3H3,(H,23,27)(H2,24,25,26,29)/b13-6+