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

Systemtic Name: N-[4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-methylbutanamide Traditional Name: N-[4-[[(E)-3-(4-chlorophenyl)acryloyl]thiocarbamoylamino]phenyl]-3-methyl-butyramide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2S/c1-14(2)13-20(27)23-17-8-10-18(11-9-17)24-21(28)25-19(26)12-5-15-3-6-16(22)7-4-15/h3-12,14H,13H2,1-2H3,(H,23,27)(H2,24,25,26,28)/b12-5+