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

Systemtic Name: N-[4-[(3-cyclohexylpropanoylcarbamothioylamino)carbamoyl]phenyl]-3-methyl-benzamide Openeye Name: N-[4-[(3-cyclohexylpropanoylcarbamothioylamino)carbamoyl]phenyl]-3-methyl-benzamide CAS Name: N-[4-[[[[(3-cyclohexyl-1-oxopropyl)amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-3-methylbenzamide IUPAC Name: N-[4-[(3-cyclohexylpropanoylcarbamothioylamino)carbamoyl]phenyl]-3-methylbenzamide Traditional Name: N-[4-[(3-cyclohexylpropanoylthiocarbamoylamino)carbamoyl]phenyl]-3-methyl-benzamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCC3CCCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCC3CCCCC3

InChI

InChI=1S/C25H30N4O3S/c1-17-6-5-9-20(16-17)23(31)26-21-13-11-19(12-14-21)24(32)28-29-25(33)27-22(30)15-10-18-7-3-2-4-8-18/h5-6,9,11-14,16,18H,2-4,7-8,10,15H2,1H3,(H,26,31)(H,28,32)(H2,27,29,30,33)