ethyl 3-[[3-[3-[(2-aminophenyl)carbamothioylamino]phenyl]phenyl]sulfonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 3-[[3-[3-[(2-aminophenyl)carbamothioylamino]phenyl]phenyl]sulfonylamino]-3-phenyl-propanoate Openeye Name: ethyl 3-[[3-[3-[(2-aminophenyl)carbamothioylamino]phenyl]phenyl]sulfonylamino]-3-phenyl-propanoate CAS Name: 3-[[3-[3-[[(2-aminoanilino)-sulfanylidenemethyl]amino]phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-[3-[(2-aminophenyl)carbamothioylamino]phenyl]phenyl]sulfonylamino]-3-phenylpropanoate Traditional Name: 3-[[3-[3-[(2-aminophenyl)thiocarbamoylamino]phenyl]phenyl]sulfonylamino]-3-phenyl-propionic acid ethyl ester Formula: C30H30N4O4S2 MolecularWeight: 574.7136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C3=CC(=CC=C3)NC(=S)NC4=CC=CC=C4N

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C3=CC(=CC=C3)NC(=S)NC4=CC=CC=C4N

InChI

InChI=1S/C30H30N4O4S2/c1-2-38-29(35)20-28(21-10-4-3-5-11-21)34-40(36,37)25-15-9-13-23(19-25)22-12-8-14-24(18-22)32-30(39)33-27-17-7-6-16-26(27)31/h3-19,28,34H,2,20,31H2,1H3,(H2,32,33,39)