N-[(5-butan-2-yl-2-oxidanyl-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[(5-butan-2-yl-2-oxidanyl-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[(2-hydroxy-5-sec-butyl-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[(5-butan-2-yl-2-hydroxyanilino)-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(2-hydroxy-5-sec-butyl-phenyl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCC(C)C1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H26N2O5S/c1-6-12(2)13-7-8-16(24)15(9-13)22-21(29)23-20(25)14-10-17(26-3)19(28-5)18(11-14)27-4/h7-12,24H,6H2,1-5H3,(H2,22,23,25,29)