2-[(4-chlorophenyl)carbamothioylamino]-N,3,3-trimethyl-butanamide

Systemtic Name: 2-[(4-chlorophenyl)carbamothioylamino]-N,3,3-trimethyl-butanamide Openeye Name: 2-[(4-chlorophenyl)carbamothioylamino]-N,3,3-trimethyl-butanamide CAS Name: 2-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-N,3,3-trimethylbutanamide IUPAC Name: 2-[(4-chlorophenyl)carbamothioylamino]-N,3,3-trimethylbutanamide Traditional Name: 2-[(4-chlorophenyl)thiocarbamoylamino]-N,3,3-trimethyl-butyramide Formula: C14H20ClN3OS MolecularWeight: 313.8461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3OS/c1-14(2,3)11(12(19)16-4)18-13(20)17-10-7-5-9(15)6-8-10/h5-8,11H,1-4H3,(H,16,19)(H2,17,18,20)