N-[(3-chloranyl-4-methoxy-phenyl)carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[(3-chloro-4-methoxy-phenyl)carbamothioyl]-2-hexoxy-benzamide CAS Name: N-[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-2-hexoxybenzamide Traditional Name: N-[(3-chloro-4-methoxy-phenyl)thiocarbamoyl]-2-hexoxy-benzamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C21H25ClN2O3S/c1-3-4-5-8-13-27-18-10-7-6-9-16(18)20(25)24-21(28)23-15-11-12-19(26-2)17(22)14-15/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H2,23,24,25,28)