N-[4-[[(3-butoxyphenyl)carbonylcarbamothioylamino]carbamoyl]phenyl]-2-methyl-benzamide

Systemtic Name: N-[4-[[(3-butoxyphenyl)carbonylcarbamothioylamino]carbamoyl]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[[(3-butoxybenzoyl)carbamothioylamino]carbamoyl]phenyl]-2-methyl-benzamide CAS Name: N-[4-[[[[[(3-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[[(3-butoxybenzoyl)carbamothioylamino]carbamoyl]phenyl]-2-methylbenzamide Traditional Name: N-[4-[[(3-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(=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

InChI

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