ethyl 2-[(N'-tert-butyl-N-phenyl-carbamimidoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(N'-tert-butyl-N-phenyl-carbamimidoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(N'-tert-butyl-N-phenyl-carbamimidoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[anilino(tert-butylimino)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(N'-tert-butyl-N-phenylcarbamimidoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(N'-tert-butyl-N-phenyl-amidino)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=NC(C)(C)C)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=NC(C)(C)C)NC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O2S/c1-5-27-20(26)18-16-13-9-10-14-17(16)28-19(18)24-21(25-22(2,3)4)23-15-11-7-6-8-12-15/h6-8,11-12H,5,9-10,13-14H2,1-4H3,(H2,23,24,25)