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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

InChI

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