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

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[(3-chloro-4-methoxy-phenyl)carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[(3-chloro-4-methoxy-phenyl)thiocarbamoyl]-4-heptoxy-benzamide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C22H27ClN2O3S/c1-3-4-5-6-7-14-28-18-11-8-16(9-12-18)21(26)25-22(29)24-17-10-13-20(27-2)19(23)15-17/h8-13,15H,3-7,14H2,1-2H3,(H2,24,25,26,29)