tert-butyl 3-[3-[[3-(carbamothioylamino)phenyl]sulfonylamino]phenyl]-3-phenyl-propanoate

Systemtic Name: tert-butyl 3-[3-[[3-(carbamothioylamino)phenyl]sulfonylamino]phenyl]-3-phenyl-propanoate Openeye Name: tert-butyl 3-[3-[[3-(carbamothioylamino)phenyl]sulfonylamino]phenyl]-3-phenyl-propanoate CAS Name: 3-[3-[[3-(carbamothioylamino)phenyl]sulfonylamino]phenyl]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[[3-(carbamothioylamino)phenyl]sulfonylamino]phenyl]-3-phenylpropanoate Traditional Name: 3-phenyl-3-[3-[(3-thioureidophenyl)sulfonylamino]phenyl]propionic acid tert-butyl ester Formula: C26H29N3O4S2 MolecularWeight: 511.65616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C1=CC=CC=C1)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)NC(=S)N

Isomeric SMILES

CC(C)(C)OC(=O)CC(C1=CC=CC=C1)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)NC(=S)N

InChI

InChI=1S/C26H29N3O4S2/c1-26(2,3)33-24(30)17-23(18-9-5-4-6-10-18)19-11-7-13-21(15-19)29-35(31,32)22-14-8-12-20(16-22)28-25(27)34/h4-16,23,29H,17H2,1-3H3,(H3,27,28,34)