methyl 2-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 2-[[2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]propanoylamino]benzoic acid methyl ester Formula: C25H25N3O4S2 MolecularWeight: 495.6137

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

InChI

InChI=1S/C25H25N3O4S2/c1-16(23(29)27-20-12-5-4-11-19(20)24(30)32-3)34-18-10-8-9-17(15-18)26-25(33)28-21-13-6-7-14-22(21)31-2/h4-16H,1-3H3,(H,27,29)(H2,26,28,33)