methyl 2-[[1-[(3-carbamothioylphenyl)methyl]indol-2-yl]carbonyl-(pyridin-4-ylmethyl)amino]ethanoate

Systemtic Name: methyl 2-[[1-[(3-carbamothioylphenyl)methyl]indol-2-yl]carbonyl-(pyridin-4-ylmethyl)amino]ethanoate Openeye Name: methyl 2-[[1-[(3-carbamothioylphenyl)methyl]indole-2-carbonyl]-(4-pyridylmethyl)amino]acetate CAS Name: 2-[[[1-[(3-carbamothioylphenyl)methyl]-2-indolyl]-oxomethyl]-(pyridin-4-ylmethyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[[1-[(3-carbamothioylphenyl)methyl]indole-2-carbonyl]-(pyridin-4-ylmethyl)amino]acetate Traditional Name: 2-[4-pyridylmethyl-[1-(3-thiocarbamoylbenzyl)indole-2-carbonyl]amino]acetic acid methyl ester Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(CC1=CC=NC=C1)C(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC(=C4)C(=S)N

Isomeric SMILES

COC(=O)CN(CC1=CC=NC=C1)C(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC(=C4)C(=S)N

InChI

InChI=1S/C26H24N4O3S/c1-33-24(31)17-29(15-18-9-11-28-12-10-18)26(32)23-14-20-6-2-3-8-22(20)30(23)16-19-5-4-7-21(13-19)25(27)34/h2-14H,15-17H2,1H3,(H2,27,34)