N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]phenyl]pentanamide

Systemtic Name: N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]phenyl]pentanamide Openeye Name: N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]phenyl]pentanamide CAS Name: N-[3-[[[[3-(2,4-dichlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]phenyl]pentanamide Traditional Name: N-[3-[[3-(2,4-dichlorophenyl)acryloyl]thiocarbamoylamino]phenyl]valeramide Formula: C21H21Cl2N3O2S MolecularWeight: 450.38134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2N3O2S/c1-2-3-7-19(27)24-16-5-4-6-17(13-16)25-21(29)26-20(28)11-9-14-8-10-15(22)12-18(14)23/h4-6,8-13H,2-3,7H2,1H3,(H,24,27)(H2,25,26,28,29)