methyl-[4-(phenylcarbonylcarbamothioylamino)cyclohexyl]carbamic acid

Systemtic Name: methyl-[4-(phenylcarbonylcarbamothioylamino)cyclohexyl]carbamic acid Openeye Name: [4-(benzoylcarbamothioylamino)cyclohexyl]-methyl-carbamic acid CAS Name: [4-[[benzamido(sulfanylidene)methyl]amino]cyclohexyl]-methylcarbamic acid IUPAC Name: [4-(benzoylcarbamothioylamino)cyclohexyl]-methylcarbamic acid Traditional Name: [4-(benzoylthiocarbamoylamino)cyclohexyl]-methyl-carbamic acid Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)NC(=S)NC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CN(C1CCC(CC1)NC(=S)NC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H21N3O3S/c1-19(16(21)22)13-9-7-12(8-10-13)17-15(23)18-14(20)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,21,22)(H2,17,18,20,23)