ethyl 2-[[(4-ethylphenyl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(4-ethylphenyl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(4-ethylphenyl)methyleneamino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-[(4-ethylphenyl)methylidene]hydrazinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-ethylphenyl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(4-ethylbenzylidene)amino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=NNC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C=NNC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

InChI

InChI=1S/C21H25N3O3S/c1-3-14-9-11-15(12-10-14)13-22-24-21(26)23-19-18(20(25)27-4-2)16-7-5-6-8-17(16)28-19/h9-13H,3-8H2,1-2H3,(H2,23,24,26)