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

Systemtic Name: methyl 3-[[2-[[(4-carbamothioylphenyl)amino]methyl]-1-methyl-indol-5-yl]oxycarbonyl-phenyl-amino]propanoate Openeye Name: methyl 3-(N-[2-[(4-carbamothioylanilino)methyl]-1-methyl-indol-5-yl]oxycarbonylanilino)propanoate CAS Name: 3-(N-[[2-[(4-carbamothioylanilino)methyl]-1-methyl-5-indolyl]oxy-oxomethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 3-(N-[2-[(4-carbamothioylanilino)methyl]-1-methylindol-5-yl]oxycarbonylanilino)propanoate Traditional Name: 3-(N-[1-methyl-2-[(4-thiocarbamoylanilino)methyl]indol-5-yl]oxycarbonylanilino)propionic acid methyl ester Formula: C28H28N4O4S MolecularWeight: 516.61132

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H28N4O4S/c1-31-23(18-30-21-10-8-19(9-11-21)27(29)37)16-20-17-24(12-13-25(20)31)36-28(34)32(15-14-26(33)35-2)22-6-4-3-5-7-22/h3-13,16-17,30H,14-15,18H2,1-2H3,(H2,29,37)