N-[[2-(cyclohexylcarbonylamino)ethanoylamino]carbamothioyl]-3-iodanyl-4-methoxy-benzamide

Systemtic Name: N-[[2-(cyclohexylcarbonylamino)ethanoylamino]carbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: N-[[[2-[[cyclohexyl(oxo)methyl]amino]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C18H23IN4O4S MolecularWeight: 518.36909

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CNC(=O)C2CCCCC2)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CNC(=O)C2CCCCC2)I

InChI

InChI=1S/C18H23IN4O4S/c1-27-14-8-7-12(9-13(14)19)17(26)21-18(28)23-22-15(24)10-20-16(25)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,20,25)(H,22,24)(H2,21,23,26,28)