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

Systemtic Name: N-[4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-2-methoxy-phenyl]-2-methyl-propanamide Openeye Name: N-[4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-2-methoxy-phenyl]-2-methyl-propanamide CAS Name: N-[4-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-2-methoxyphenyl]-2-methylpropanamide IUPAC Name: N-[4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-2-methoxyphenyl]-2-methylpropanamide Traditional Name: N-[4-[[(E)-3-(4-chlorophenyl)acryloyl]thiocarbamoylamino]-2-methoxy-phenyl]-2-methyl-propionamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3S/c1-13(2)20(27)24-17-10-9-16(12-18(17)28-3)23-21(29)25-19(26)11-6-14-4-7-15(22)8-5-14/h4-13H,1-3H3,(H,24,27)(H2,23,25,26,29)/b11-6+