4-[2-(1,3-benzothiazol-2-yl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[2-(1,3-benzothiazol-2-yl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(1,3-benzothiazol-2-yl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-(1,3-benzothiazol-2-yl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(1,3-benzothiazol-2-yl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-(1,3-benzothiazol-2-yl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butylamine Formula: C21H17F6N3S MolecularWeight: 457.435199

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C4=C(C=C(C=C4N3)C(F)(F)F)C(F)(F)F)CCCCN

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C4=C(C=C(C=C4N3)C(F)(F)F)C(F)(F)F)CCCCN

InChI

InChI=1S/C21H17F6N3S/c22-20(23,24)11-9-13(21(25,26)27)17-12(5-3-4-8-28)18(29-15(17)10-11)19-30-14-6-1-2-7-16(14)31-19/h1-2,6-7,9-10,29H,3-5,8,28H2