ethyl 4-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzoate Openeye Name: ethyl 4-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]butanoylamino]benzoic acid ethyl ester Formula: C27H29N3O4S2 MolecularWeight: 523.66686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

InChI

InChI=1S/C27H29N3O4S2/c1-4-24(25(31)28-19-15-13-18(14-16-19)26(32)34-5-2)36-21-10-8-9-20(17-21)29-27(35)30-22-11-6-7-12-23(22)33-3/h6-17,24H,4-5H2,1-3H3,(H,28,31)(H2,29,30,35)