1-tert-butyl-3-[2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoylamino]thiourea Openeye Name: 1-tert-butyl-3-[[2-(3-chloro-N-methylsulfonyl-anilino)acetyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[2-(3-chloro-N-methylsulfonylanilino)-1-oxoethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[2-(3-chloro-N-mesyl-anilino)acetyl]amino]thiourea Formula: C14H21ClN4O3S2 MolecularWeight: 392.92454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C

InChI

InChI=1S/C14H21ClN4O3S2/c1-14(2,3)16-13(23)18-17-12(20)9-19(24(4,21)22)11-7-5-6-10(15)8-11/h5-8H,9H2,1-4H3,(H,17,20)(H2,16,18,23)