methyl N-[[2-(cyclohexylcarbonylamino)-4-phenylsulfanyl-phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-(cyclohexylcarbonylamino)-4-phenylsulfanyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(cyclohexanecarbonylamino)-4-phenylsulfanyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[cyclohexyl(oxo)methyl]amino]-4-(phenylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(cyclohexanecarbonylamino)-4-phenylsulfanylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(cyclohexanecarbonylamino)-4-(phenylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=C(C=C1)SC2=CC=CC=C2)NC(=O)C3CCCCC3

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=C(C=C1)SC2=CC=CC=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C22H25N3O3S2/c1-28-22(27)25-21(29)24-18-13-12-17(30-16-10-6-3-7-11-16)14-19(18)23-20(26)15-8-4-2-5-9-15/h3,6-7,10-15H,2,4-5,8-9H2,1H3,(H,23,26)(H2,24,25,27,29)