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

Systemtic Name: ethyl 2-[[N-(phenylcarbonyl)-N'-(phenylmethyl)carbamimidoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(N-benzoyl-N'-benzyl-carbamimidoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[benzamido-(phenylmethyl)iminomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(N-benzoyl-N'-benzylcarbamimidoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(N-benzoyl-N'-benzyl-amidino)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=NCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=NCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3S/c1-2-32-25(31)22-20-15-9-10-16-21(20)33-24(22)29-26(27-17-18-11-5-3-6-12-18)28-23(30)19-13-7-4-8-14-19/h3-8,11-14H,2,9-10,15-17H2,1H3,(H2,27,28,29,30)