4-[5-(1-adamantyl)-2-(1,3-benzothiazol-2-yl)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[5-(1-adamantyl)-2-(1,3-benzothiazol-2-yl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(1,3-benzothiazol-2-yl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(1,3-benzothiazol-2-yl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(1,3-benzothiazol-2-yl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-(1,3-benzothiazol-2-yl)-1H-indol-3-yl]butylamine Formula: C29H33N3S MolecularWeight: 455.65742

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)NC(=C5CCCCN)C6=NC7=CC=CC=C7S6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)NC(=C5CCCCN)C6=NC7=CC=CC=C7S6

InChI

InChI=1S/C29H33N3S/c30-10-4-3-5-22-23-14-21(29-15-18-11-19(16-29)13-20(12-18)17-29)8-9-24(23)31-27(22)28-32-25-6-1-2-7-26(25)33-28/h1-2,6-9,14,18-20,31H,3-5,10-13,15-17,30H2