N-[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]naphthalen-1-yl]ethanamide

Systemtic Name: N-[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]naphthalen-1-yl]ethanamide Openeye Name: N-[4-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]-1-naphthyl]acetamide CAS Name: N-[4-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-1-naphthalenyl]acetamide IUPAC Name: N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]naphthalen-1-yl]acetamide Traditional Name: N-[4-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]-1-naphthyl]acetamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C2=CC=CC=C21)NC(=S)NC3=CC(=C(C=C3OC)OC)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C2=CC=CC=C21)NC(=S)NC3=CC(=C(C=C3OC)OC)Cl

InChI

InChI=1S/C21H20ClN3O3S/c1-12(26)23-16-8-9-17(14-7-5-4-6-13(14)16)24-21(29)25-18-10-15(22)19(27-2)11-20(18)28-3/h4-11H,1-3H3,(H,23,26)(H2,24,25,29)