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

Systemtic Name: methyl 2-[(pyridin-4-ylmethylideneamino)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(4-pyridylmethyleneamino)carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[2-(pyridin-4-ylmethylidene)hydrazinyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(pyridin-4-ylmethylideneamino)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-pyridylmethyleneamino)carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3S/c1-24-16(22)14-12-4-2-3-5-13(12)25-15(14)20-17(23)21-19-10-11-6-8-18-9-7-11/h6-10H,2-5H2,1H3,(H2,20,21,23)