N-[4-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]-2-methoxy-phenyl]pentanamide

Systemtic Name: N-[4-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]-2-methoxy-phenyl]pentanamide Openeye Name: N-[4-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]-2-methoxy-phenyl]pentanamide CAS Name: N-[4-[[[[3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-2-methoxyphenyl]pentanamide IUPAC Name: N-[4-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]-2-methoxyphenyl]pentanamide Traditional Name: N-[4-[[3-(4-chlorophenyl)acryloyl]thiocarbamoylamino]-2-methoxy-phenyl]valeramide Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O3S/c1-3-4-5-20(27)25-18-12-11-17(14-19(18)29-2)24-22(30)26-21(28)13-8-15-6-9-16(23)10-7-15/h6-14H,3-5H2,1-2H3,(H,25,27)(H2,24,26,28,30)