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

Systemtic Name: N-[4-[[(3-butoxyphenyl)carbonylcarbamothioylamino]carbamoyl]phenyl]-3-methyl-benzamide Openeye Name: N-[4-[[(3-butoxybenzoyl)carbamothioylamino]carbamoyl]phenyl]-3-methyl-benzamide CAS Name: N-[4-[[[[[(3-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-3-methylbenzamide IUPAC Name: N-[4-[[(3-butoxybenzoyl)carbamothioylamino]carbamoyl]phenyl]-3-methylbenzamide Traditional Name: N-[4-[[(3-butoxybenzoyl)thiocarbamoylamino]carbamoyl]phenyl]-3-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=C3)C

Isomeric SMILES

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

InChI

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