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

Systemtic Name: methyl 2-[[(3-phenylmethoxyphenyl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[(3-benzyloxyphenyl)methyleneamino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(3-phenylmethoxyphenyl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(3-benzoxybenzylidene)amino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)NN=CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)NN=CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O4S/c1-31-24(29)22-20-12-5-6-13-21(20)33-23(22)27-25(30)28-26-15-18-10-7-11-19(14-18)32-16-17-8-3-2-4-9-17/h2-4,7-11,14-15H,5-6,12-13,16H2,1H3,(H2,27,28,30)