methyl (2S)-3-(1H-indol-3-yl)-2-[(4-methyl-1,3-benzothiazol-2-yl)carbamothioylamino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(4-methyl-1,3-benzothiazol-2-yl)carbamothioylamino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(4-methyl-1,3-benzothiazol-2-yl)carbamothioylamino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[[(4-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(4-methyl-1,3-benzothiazol-2-yl)carbamothioylamino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[(4-methyl-1,3-benzothiazol-2-yl)thiocarbamoylamino]propionic acid methyl ester Formula: C21H20N4O2S2 MolecularWeight: 424.5391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=S)NC(CC3=CNC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=S)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C21H20N4O2S2/c1-12-6-5-9-17-18(12)24-21(29-17)25-20(28)23-16(19(26)27-2)10-13-11-22-15-8-4-3-7-14(13)15/h3-9,11,16,22H,10H2,1-2H3,(H2,23,24,25,28)/t16-/m0/s1