N-[4-[(4-chlorophenyl)carbamothioylamino]-2,5-diethoxy-phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[(4-chlorophenyl)carbamothioylamino]-2,5-diethoxy-phenyl]-3-methyl-butanamide Openeye Name: N-[4-[(4-chlorophenyl)carbamothioylamino]-2,5-diethoxy-phenyl]-3-methyl-butanamide CAS Name: N-[4-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-2,5-diethoxyphenyl]-3-methylbutanamide IUPAC Name: N-[4-[(4-chlorophenyl)carbamothioylamino]-2,5-diethoxyphenyl]-3-methylbutanamide Traditional Name: N-[4-[(4-chlorophenyl)thiocarbamoylamino]-2,5-diethoxy-phenyl]-3-methyl-butyramide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)CC(C)C)OCC)NC(=S)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)CC(C)C)OCC)NC(=S)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H28ClN3O3S/c1-5-28-19-13-18(26-22(30)24-16-9-7-15(23)8-10-16)20(29-6-2)12-17(19)25-21(27)11-14(3)4/h7-10,12-14H,5-6,11H2,1-4H3,(H,25,27)(H2,24,26,30)