1-(6-azanylhexyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea

Systemtic Name: 1-(6-azanylhexyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea Openeye Name: 1-(6-aminohexyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea CAS Name: 1-(6-aminohexyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea IUPAC Name: 1-(6-aminohexyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea Traditional Name: 1-(6-aminohexyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)NCCCCCCN

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)NCCCCCCN

InChI

InChI=1S/C21H26N4OS/c1-15-6-11-18-19(14-15)27-20(25-18)16-7-9-17(10-8-16)24-21(26)23-13-5-3-2-4-12-22/h6-11,14H,2-5,12-13,22H2,1H3,(H2,23,24,26)