methyl 3-[[2-[[(4-carbamothioylphenyl)amino]methyl]-1-methyl-indol-5-yl]carbonyl-phenyl-amino]propanoate

Systemtic Name: methyl 3-[[2-[[(4-carbamothioylphenyl)amino]methyl]-1-methyl-indol-5-yl]carbonyl-phenyl-amino]propanoate Openeye Name: methyl 3-(N-[2-[(4-carbamothioylanilino)methyl]-1-methyl-indole-5-carbonyl]anilino)propanoate CAS Name: 3-(N-[[2-[(4-carbamothioylanilino)methyl]-1-methyl-5-indolyl]-oxomethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 3-(N-[2-[(4-carbamothioylanilino)methyl]-1-methylindole-5-carbonyl]anilino)propanoate Traditional Name: 3-(N-[1-methyl-2-[(4-thiocarbamoylanilino)methyl]indole-5-carbonyl]anilino)propionic acid methyl ester Formula: C28H28N4O3S MolecularWeight: 500.61192

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)OC)C3=CC=CC=C3)C=C1CNC4=CC=C(C=C4)C(=S)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)OC)C3=CC=CC=C3)C=C1CNC4=CC=C(C=C4)C(=S)N

InChI

InChI=1S/C28H28N4O3S/c1-31-24(18-30-22-11-8-19(9-12-22)27(29)36)17-21-16-20(10-13-25(21)31)28(34)32(15-14-26(33)35-2)23-6-4-3-5-7-23/h3-13,16-17,30H,14-15,18H2,1-2H3,(H2,29,36)