4-[[3-(cyclohexylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]benzoate

Systemtic Name: 4-[[3-(cyclohexylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]benzoate Openeye Name: 4-[[3-(cyclohexylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]iminomethyl]benzoate CAS Name: 4-[[3-[(cyclohexylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]benzoate IUPAC Name: 4-[[3-(cyclohexylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]benzoate Traditional Name: 4-[[3-(cyclohexylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]iminomethyl]benzoate Formula: C23H25N2O3S- MolecularWeight: 409.5212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=C(SC3=C2CCCC3)N=CC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C(SC3=C2CCCC3)N=CC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C23H26N2O3S/c26-21(25-17-6-2-1-3-7-17)20-18-8-4-5-9-19(18)29-22(20)24-14-15-10-12-16(13-11-15)23(27)28/h10-14,17H,1-9H2,(H,25,26)(H,27,28)/p-1