1-(4,12-dimethylpentadecan-7-yl)-3-[[5-(methylamino)-2,1-benzothiazol-3-yl]amino]urea

Systemtic Name: 1-(4,12-dimethylpentadecan-7-yl)-3-[[5-(methylamino)-2,1-benzothiazol-3-yl]amino]urea Openeye Name: 1-[[5-(methylamino)-2,1-benzothiazol-3-yl]amino]-3-[6-methyl-1-(3-methylhexyl)nonyl]urea CAS Name: 1-(4,12-dimethylpentadecan-7-yl)-3-[[5-(methylamino)-2,1-benzothiazol-3-yl]amino]urea IUPAC Name: 1-(4,12-dimethylpentadecan-7-yl)-3-[[5-(methylamino)-2,1-benzothiazol-3-yl]amino]urea Traditional Name: 1-[[5-(methylamino)-2,1-benzothiazol-3-yl]amino]-3-[6-methyl-1-(3-methylhexyl)nonyl]urea Formula: C26H45N5OS MolecularWeight: 475.7334

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CCCCC(CCC(C)CCC)NC(=O)NNC1=C2C=C(C=CC2=NS1)NC

Isomeric SMILES

CCCC(C)CCCCC(CCC(C)CCC)NC(=O)NNC1=C2C=C(C=CC2=NS1)NC

InChI

InChI=1S/C26H45N5OS/c1-6-10-19(3)12-8-9-13-21(15-14-20(4)11-7-2)28-26(32)30-29-25-23-18-22(27-5)16-17-24(23)31-33-25/h16-21,27,29H,6-15H2,1-5H3,(H2,28,30,32)