N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-tris(chloranyl)ethyl]hexanamide

Systemtic Name: N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-tris(chloranyl)ethyl]hexanamide Openeye Name: N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloro-ethyl]hexanamide CAS Name: N-[1-[[(4-acetamidoanilino)-sulfanylidenemethyl]amino]-2,2,2-trichloroethyl]hexanamide IUPAC Name: N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]hexanamide Traditional Name: N-[1-[(4-acetamidophenyl)thiocarbamoylamino]-2,2,2-trichloro-ethyl]hexanamide Formula: C17H23Cl3N4O2S MolecularWeight: 453.81412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)NC(=O)C

Isomeric SMILES

CCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C17H23Cl3N4O2S/c1-3-4-5-6-14(26)23-15(17(18,19)20)24-16(27)22-13-9-7-12(8-10-13)21-11(2)25/h7-10,15H,3-6H2,1-2H3,(H,21,25)(H,23,26)(H2,22,24,27)