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

Systemtic Name: 1-[2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]ethanoylamino]-3-cyclopentyl-thiourea Openeye Name: 1-cyclopentyl-3-[[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]acetyl]amino]thiourea CAS Name: 1-cyclopentyl-3-[[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-oxoethyl]amino]thiourea IUPAC Name: 1-cyclopentyl-3-[[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetyl]amino]thiourea Traditional Name: 1-cyclopentyl-3-[[2-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]acetyl]amino]thiourea Formula: C16H21N5O3S2 MolecularWeight: 395.49964

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NNC(=S)NC1CCCC1)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CN(CC(=O)NNC(=S)NC1CCCC1)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C16H21N5O3S2/c1-21(15-12-8-4-5-9-13(12)26(23,24)20-15)10-14(22)18-19-16(25)17-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,18,22)(H2,17,19,25)