9H-fluoren-9-ylmethyl N-[(2S)-1-(benzotriazol-1-ylcarbothioylamino)-4-methyl-pentan-2-yl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[(2S)-1-(benzotriazol-1-ylcarbothioylamino)-4-methyl-pentan-2-yl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[(1S)-1-[(benzotriazole-1-carbothioylamino)methyl]-3-methyl-butyl]carbamate CAS Name: N-[(2S)-1-[[1-benzotriazolyl(sulfanylidene)methyl]amino]-4-methylpentan-2-yl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[(2S)-1-(benzotriazole-1-carbothioylamino)-4-methylpentan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(benzotriazole-1-carbothioylamino)methyl]-3-methyl-butyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C28H29N5O2S MolecularWeight: 499.62716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC(=S)N1C2=CC=CC=C2N=N1)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CC(C)C[C@@H](CNC(=S)N1C2=CC=CC=C2N=N1)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C28H29N5O2S/c1-18(2)15-19(16-29-27(36)33-26-14-8-7-13-25(26)31-32-33)30-28(34)35-17-24-22-11-5-3-9-20(22)21-10-4-6-12-23(21)24/h3-14,18-19,24H,15-17H2,1-2H3,(H,29,36)(H,30,34)/t19-/m0/s1