methyl 3-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[4-(2-cyclohexylethoxy)anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[4-(2-cyclohexylethoxy)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCCC3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCCC3CCCCC3

InChI

InChI=1S/C24H28N2O4S/c1-29-23(28)19-9-5-8-18(16-19)22(27)26-24(31)25-20-10-12-21(13-11-20)30-15-14-17-6-3-2-4-7-17/h5,8-13,16-17H,2-4,6-7,14-15H2,1H3,(H2,25,26,27,31)