N-[(2S)-1-[[(2R)-2-azanyl-2-sulfanyl-ethyl]amino]-3-(3-methylphenyl)-1-oxidanylidene-propan-2-yl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[(2S)-1-[[(2R)-2-azanyl-2-sulfanyl-ethyl]amino]-3-(3-methylphenyl)-1-oxidanylidene-propan-2-yl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[(1S)-2-[[(2R)-2-amino-2-sulfanyl-ethyl]amino]-1-(m-tolylmethyl)-2-oxo-ethyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide CAS Name: N-[(2S)-1-[[(2R)-2-amino-2-mercaptoethyl]amino]-3-(3-methylphenyl)-1-oxopropan-2-yl]-5-tert-butyl-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[(2S)-1-[[(2R)-2-amino-2-sulfanylethyl]amino]-3-(3-methylphenyl)-1-oxopropan-2-yl]-5-tert-butyl-2-methylpyrazole-3-carboxamide Traditional Name: N-[(1S)-2-[[(2R)-2-amino-2-mercapto-ethyl]amino]-2-keto-1-(3-methylbenzyl)ethyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(C(=O)NCC(N)S)NC(=O)C2=CC(=NN2C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)C[C@@H](C(=O)NC[C@H](N)S)NC(=O)C2=CC(=NN2C)C(C)(C)C

InChI

InChI=1S/C21H31N5O2S/c1-13-7-6-8-14(9-13)10-15(19(27)23-12-18(22)29)24-20(28)16-11-17(21(2,3)4)25-26(16)5/h6-9,11,15,18,29H,10,12,22H2,1-5H3,(H,23,27)(H,24,28)/t15-,18+/m0/s1