1-[[1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidin-4-yl]carbonylamino]-3-tert-butyl-thiourea

Systemtic Name: 1-[[1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidin-4-yl]carbonylamino]-3-tert-butyl-thiourea Openeye Name: 1-tert-butyl-3-[[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carbonyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[[1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-piperidinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carbonyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[1-(1,1-diketo-1,2-benzothiazol-3-yl)isonipecotoyl]amino]thiourea Formula: C18H25N5O3S2 MolecularWeight: 423.5528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)C1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H25N5O3S2/c1-18(2,3)19-17(27)21-20-16(24)12-8-10-23(11-9-12)15-13-6-4-5-7-14(13)28(25,26)22-15/h4-7,12H,8-11H2,1-3H3,(H,20,24)(H2,19,21,27)