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

Systemtic Name: N-[[2-(cyclohexylcarbonylamino)ethanoylamino]carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[[2-[[cyclohexyl(oxo)methyl]amino]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C18H23IN4O3S MolecularWeight: 502.36969

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CNC(=O)C2CCCCC2)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CNC(=O)C2CCCCC2)I

InChI

InChI=1S/C18H23IN4O3S/c1-11-7-8-13(9-14(11)19)17(26)21-18(27)23-22-15(24)10-20-16(25)12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,20,25)(H,22,24)(H2,21,23,26,27)