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

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-isopentyloxy-benzamide CAS Name: N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-4-isoamoxy-benzamide Formula: C25H34N2O4S MolecularWeight: 458.61346

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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(C)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O4S/c1-5-6-14-31-22-12-7-19(16-23(22)29-4)17-26-25(32)27-24(28)20-8-10-21(11-9-20)30-15-13-18(2)3/h7-12,16,18H,5-6,13-15,17H2,1-4H3,(H2,26,27,28,32)