(phenylmethyl) N-[[3-[(phenylmethoxycarbonylcarbamothioylamino)methyl]phenyl]methylcarbamothioyl]carbamate

Systemtic Name: (phenylmethyl) N-[[3-[(phenylmethoxycarbonylcarbamothioylamino)methyl]phenyl]methylcarbamothioyl]carbamate Openeye Name: benzyl N-[[3-[(benzyloxycarbonylcarbamothioylamino)methyl]phenyl]methylcarbamothioyl]carbamate CAS Name: N-[[[3-[[[phenylmethoxycarbonylamino(sulfanylidene)methyl]amino]methyl]phenyl]methylamino]-sulfanylidenemethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[[3-[(phenylmethoxycarbonylcarbamothioylamino)methyl]phenyl]methylcarbamothioyl]carbamate Traditional Name: N-[[3-[(carbobenzoxythiocarbamoylamino)methyl]benzyl]thiocarbamoyl]carbamic acid benzyl ester Formula: C26H26N4O4S2 MolecularWeight: 522.63904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(=S)NCC2=CC(=CC=C2)CNC(=S)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(=S)NCC2=CC(=CC=C2)CNC(=S)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H26N4O4S2/c31-25(33-17-19-8-3-1-4-9-19)29-23(35)27-15-21-12-7-13-22(14-21)16-28-24(36)30-26(32)34-18-20-10-5-2-6-11-20/h1-14H,15-18H2,(H2,27,29,31,35)(H2,28,30,32,36)