carbonic acid; 2-(cyclohexylcarbonylamino)-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: carbonic acid; 2-(cyclohexylcarbonylamino)-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: carbonic acid; 2-(cyclohexanecarbonylamino)-N-phenethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: carbonic acid; 2-[[cyclohexyl(oxo)methyl]amino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: carbonic acid; 2-(cyclohexanecarbonylamino)-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: carbonic acid; 2-(cyclohexanecarbonylamino)-N-phenethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCCC4=CC=CC=C4.C(=O)(O)O

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCCC4=CC=CC=C4.C(=O)(O)O

InChI

InChI=1S/C24H30N2O2S.CH2O3/c27-22(18-11-5-2-6-12-18)26-24-21(19-13-7-8-14-20(19)29-24)23(28)25-16-15-17-9-3-1-4-10-17;2-1(3)4/h1,3-4,9-10,18H,2,5-8,11-16H2,(H,25,28)(H,26,27);(H2,2,3,4)