(phenylmethyl) N-[1-[[1-(benzotriazol-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[[1-(benzotriazol-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: benzyl N-[2-[[1-(benzotriazole-1-carbonyl)-3-methylsulfanyl-propyl]amino]-1-benzyl-2-oxo-ethyl]carbamate CAS Name: N-[1-[[1-(1-benzotriazolyl)-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[[1-(benzotriazol-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[2-[[1-(benzotriazole-1-carbonyl)-3-(methylthio)propyl]amino]-1-benzyl-2-keto-ethyl]carbamic acid benzyl ester Formula: C28H29N5O4S MolecularWeight: 531.62596

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1C2=CC=CC=C2N=N1)NC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CSCCC(C(=O)N1C2=CC=CC=C2N=N1)NC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H29N5O4S/c1-38-17-16-23(27(35)33-25-15-9-8-14-22(25)31-32-33)29-26(34)24(18-20-10-4-2-5-11-20)30-28(36)37-19-21-12-6-3-7-13-21/h2-15,23-24H,16-19H2,1H3,(H,29,34)(H,30,36)