1-tert-butyl-3-[[(2S)-4-methylsulfanyl-2-(phenylsulfonylamino)butanoyl]amino]thiourea

Systemtic Name: 1-tert-butyl-3-[[(2S)-4-methylsulfanyl-2-(phenylsulfonylamino)butanoyl]amino]thiourea Openeye Name: 1-[[(2S)-2-(benzenesulfonamido)-4-methylsulfanyl-butanoyl]amino]-3-tert-butyl-thiourea CAS Name: 1-[[(2S)-2-(benzenesulfonamido)-4-(methylthio)-1-oxobutyl]amino]-3-tert-butylthiourea IUPAC Name: 1-[[(2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoyl]amino]-3-tert-butylthiourea Traditional Name: 1-[[(2S)-2-(benzenesulfonamido)-4-(methylthio)butanoyl]amino]-3-tert-butyl-thiourea Formula: C16H26N4O3S3 MolecularWeight: 418.59764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C(CCSC)NS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)[C@H](CCSC)NS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H26N4O3S3/c1-16(2,3)17-15(24)19-18-14(21)13(10-11-25-4)20-26(22,23)12-8-6-5-7-9-12/h5-9,13,20H,10-11H2,1-4H3,(H,18,21)(H2,17,19,24)/t13-/m0/s1