methyl 1-[(3-carbamothioylphenyl)methyl]-2-(pyridin-4-ylmethylcarbamoyl)indole-3-carboxylate

Systemtic Name: methyl 1-[(3-carbamothioylphenyl)methyl]-2-(pyridin-4-ylmethylcarbamoyl)indole-3-carboxylate Openeye Name: methyl 1-[(3-carbamothioylphenyl)methyl]-2-(4-pyridylmethylcarbamoyl)indole-3-carboxylate CAS Name: 1-[(3-carbamothioylphenyl)methyl]-2-[oxo-(pyridin-4-ylmethylamino)methyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-carbamothioylphenyl)methyl]-2-(pyridin-4-ylmethylcarbamoyl)indole-3-carboxylate Traditional Name: 2-(4-pyridylmethylcarbamoyl)-1-(3-thiocarbamoylbenzyl)indole-3-carboxylic acid methyl ester Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C2=CC=CC=C21)CC3=CC=CC(=C3)C(=S)N)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

COC(=O)C1=C(N(C2=CC=CC=C21)CC3=CC=CC(=C3)C(=S)N)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C25H22N4O3S/c1-32-25(31)21-19-7-2-3-8-20(19)29(15-17-5-4-6-18(13-17)23(26)33)22(21)24(30)28-14-16-9-11-27-12-10-16/h2-13H,14-15H2,1H3,(H2,26,33)(H,28,30)