3-bromanyl-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-4-propoxy-benzamide Formula: C23H29BrN2O4S MolecularWeight: 509.45636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=CC(=C(C=C2)OCCC)Br)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=CC(=C(C=C2)OCCC)Br)OC

InChI

InChI=1S/C23H29BrN2O4S/c1-4-6-12-30-20-9-7-16(13-21(20)28-3)15-25-23(31)26-22(27)17-8-10-19(18(24)14-17)29-11-5-2/h7-10,13-14H,4-6,11-12,15H2,1-3H3,(H2,25,26,27,31)