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

Systemtic Name: ethyl 2-[(N'-cyclohexyl-N-ethanoyl-carbamimidoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(N-acetyl-N'-cyclohexyl-carbamimidoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[acetamido(cyclohexylimino)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(N-acetyl-N'-cyclohexylcarbamimidoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(N-acetyl-N'-cyclohexyl-amidino)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=NC3CCCCC3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=NC3CCCCC3)NC(=O)C

InChI

InChI=1S/C20H29N3O3S/c1-3-26-19(25)17-15-11-7-8-12-16(15)27-18(17)23-20(21-13(2)24)22-14-9-5-4-6-10-14/h14H,3-12H2,1-2H3,(H2,21,22,23,24)