N-[4-[[(2-butoxyphenyl)carbonylcarbamothioylamino]carbamoyl]phenyl]-2-methyl-benzamide

Systemtic Name: N-[4-[[(2-butoxyphenyl)carbonylcarbamothioylamino]carbamoyl]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[[(2-butoxybenzoyl)carbamothioylamino]carbamoyl]phenyl]-2-methyl-benzamide CAS Name: N-[4-[[[[[(2-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[[(2-butoxybenzoyl)carbamothioylamino]carbamoyl]phenyl]-2-methylbenzamide Traditional Name: N-[4-[[(2-butoxybenzoyl)thiocarbamoylamino]carbamoyl]phenyl]-2-methyl-benzamide Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C27H28N4O4S/c1-3-4-17-35-23-12-8-7-11-22(23)26(34)29-27(36)31-30-24(32)19-13-15-20(16-14-19)28-25(33)21-10-6-5-9-18(21)2/h5-16H,3-4,17H2,1-2H3,(H,28,33)(H,30,32)(H2,29,31,34,36)