1-[2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]ethanoylamino]-3-tert-butyl-thiourea

Systemtic Name: 1-[2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]ethanoylamino]-3-tert-butyl-thiourea Openeye Name: 1-tert-butyl-3-[[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]acetyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-oxoethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[2-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]acetyl]amino]thiourea Formula: C15H21N5O3S2 MolecularWeight: 383.48894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)CN(C)C1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)CN(C)C1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C15H21N5O3S2/c1-15(2,3)16-14(24)18-17-12(21)9-20(4)13-10-7-5-6-8-11(10)25(22,23)19-13/h5-8H,9H2,1-4H3,(H,17,21)(H2,16,18,24)