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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C21H25ClN2O3S/c1-3-4-5-6-13-27-17-10-7-15(8-11-17)20(25)24-21(28)23-16-9-12-19(26-2)18(22)14-16/h7-12,14H,3-6,13H2,1-2H3,(H2,23,24,25,28)