4-[2-(3H-1,3-benzothiazol-2-ylidene)-7-bromanyl-indol-3-yl]butan-1-amine

Systemtic Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-7-bromanyl-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-7-bromo-indol-3-yl]butan-1-amine CAS Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-7-bromo-3-indolyl]-1-butanamine IUPAC Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-7-bromoindol-3-yl]butan-1-amine Traditional Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-7-bromo-indol-3-yl]butylamine Formula: C19H18BrN3S MolecularWeight: 400.33532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C(=C4C=CC=C(C4=N3)Br)CCCCN)S2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C3C(=C4C=CC=C(C4=N3)Br)CCCCN)S2

InChI

InChI=1S/C19H18BrN3S/c20-14-8-5-7-12-13(6-3-4-11-21)18(23-17(12)14)19-22-15-9-1-2-10-16(15)24-19/h1-2,5,7-10,22H,3-4,6,11,21H2