(phenylmethyl) N-[2-[[2-(ethoxycarbonylcarbamothioylamino)-4-phenylsulfanyl-phenyl]amino]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-[[2-(ethoxycarbonylcarbamothioylamino)-4-phenylsulfanyl-phenyl]amino]-2-oxidanylidene-ethyl]carbamate Openeye Name: ethyl N-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]-5-phenylsulfanyl-phenyl]carbamothioyl]carbamate CAS Name: N-[2-[2-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-4-(phenylthio)anilino]-2-oxoethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[2-(ethoxycarbonylcarbamothioylamino)-4-phenylsulfanylanilino]-2-oxoethyl]carbamate Traditional Name: N-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]-5-(phenylthio)phenyl]thiocarbamoyl]carbamic acid ethyl ester Formula: C26H26N4O5S2 MolecularWeight: 538.63844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC1=C(C=CC(=C1)SC2=CC=CC=C2)NC(=O)CNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)NC(=S)NC1=C(C=CC(=C1)SC2=CC=CC=C2)NC(=O)CNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H26N4O5S2/c1-2-34-26(33)30-24(36)29-22-15-20(37-19-11-7-4-8-12-19)13-14-21(22)28-23(31)16-27-25(32)35-17-18-9-5-3-6-10-18/h3-15H,2,16-17H2,1H3,(H,27,32)(H,28,31)(H2,29,30,33,36)