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

Systemtic Name: N-[4-[[(4-butoxyphenyl)carbonylcarbamothioylamino]carbamoyl]phenyl]-3-methyl-benzamide Openeye Name: N-[4-[[(4-butoxybenzoyl)carbamothioylamino]carbamoyl]phenyl]-3-methyl-benzamide CAS Name: N-[4-[[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-3-methylbenzamide IUPAC Name: N-[4-[[(4-butoxybenzoyl)carbamothioylamino]carbamoyl]phenyl]-3-methylbenzamide Traditional Name: N-[4-[[(4-butoxybenzoyl)thiocarbamoylamino]carbamoyl]phenyl]-3-methyl-benzamide Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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