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

Systemtic Name: 1-[2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]ethanoylamino]-3-pentyl-thiourea Openeye Name: 1-[[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]acetyl]amino]-3-pentyl-thiourea CAS Name: 1-[[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-oxoethyl]amino]-3-pentylthiourea IUPAC Name: 1-[[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[2-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]acetyl]amino]thiourea Formula: C16H23N5O3S2 MolecularWeight: 397.51552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O3S2/c1-3-4-7-10-17-16(25)19-18-14(22)11-21(2)15-12-8-5-6-9-13(12)26(23,24)20-15/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,18,22)(H2,17,19,25)