1-[(1S,2S)-2-methylcyclohexyl]-3-[(3,4,5-triethoxyphenyl)carbonylamino]thiourea

Systemtic Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(3,4,5-triethoxyphenyl)carbonylamino]thiourea Openeye Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(3,4,5-triethoxybenzoyl)amino]thiourea CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]thiourea IUPAC Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(3,4,5-triethoxybenzoyl)amino]thiourea Traditional Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(3,4,5-triethoxybenzoyl)amino]thiourea Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NNC(=S)NC2CCCCC2C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NNC(=S)N[C@H]2CCCC[C@@H]2C

InChI

InChI=1S/C21H33N3O4S/c1-5-26-17-12-15(13-18(27-6-2)19(17)28-7-3)20(25)23-24-21(29)22-16-11-9-8-10-14(16)4/h12-14,16H,5-11H2,1-4H3,(H,23,25)(H2,22,24,29)/t14-,16-/m0/s1