N-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]-3-phenylmethoxy-benzamide

Systemtic Name: N-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: N-[[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]-3-benzyloxy-benzamide CAS Name: N-[[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylamino]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylcarbamothioyl]-3-phenylmethoxybenzamide Traditional Name: N-[[4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]-cyclohexyl-thiocarbamoyl]-3-benzoxy-benzamide Formula: C31H35N3O5S MolecularWeight: 561.6917

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(C2CCCCC2)C(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)CN(C2CCCCC2)C(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)OCC(=O)N

InChI

InChI=1S/C31H35N3O5S/c1-37-28-17-23(15-16-27(28)39-21-29(32)35)19-34(25-12-6-3-7-13-25)31(40)33-30(36)24-11-8-14-26(18-24)38-20-22-9-4-2-5-10-22/h2,4-5,8-11,14-18,25H,3,6-7,12-13,19-21H2,1H3,(H2,32,35)(H,33,36,40)