tert-butyl N-[1-[(1-diazanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[(1-diazanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-[[1-(hydrazinecarbonyl)-3-methylsulfanyl-propyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[1-[[1-hydrazinyl-4-(methylthio)-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[(1-hydrazinyl-4-methylsulfanyl-1-oxobutan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[[1-carbazoyl-3-(methylthio)propyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C21H31N5O4S MolecularWeight: 449.56694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NN

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NN

InChI

InChI=1S/C21H31N5O4S/c1-21(2,3)30-20(29)25-17(11-13-12-23-15-8-6-5-7-14(13)15)18(27)24-16(9-10-31-4)19(28)26-22/h5-8,12,16-17,23H,9-11,22H2,1-4H3,(H,24,27)(H,25,29)(H,26,28)