N-[[1-(azepan-1-ylmethyl)-5-bromanyl-2-oxidanylidene-indol-3-ylidene]amino]-2-(1,3-benzothiazol-2-ylsulfanyl)ethanamide

Systemtic Name: N-[[1-(azepan-1-ylmethyl)-5-bromanyl-2-oxidanylidene-indol-3-ylidene]amino]-2-(1,3-benzothiazol-2-ylsulfanyl)ethanamide Openeye Name: N-[[1-(azepan-1-ylmethyl)-5-bromo-2-oxo-indolin-3-ylidene]amino]-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide CAS Name: N-[[1-(1-azepanylmethyl)-5-bromo-2-oxo-3-indolylidene]amino]-2-(1,3-benzothiazol-2-ylthio)acetamide IUPAC Name: N-[[1-(azepan-1-ylmethyl)-5-bromo-2-oxoindol-3-ylidene]amino]-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide Traditional Name: N-[[1-(azepan-1-ylmethyl)-5-bromo-2-keto-indolin-3-ylidene]amino]-2-(1,3-benzothiazol-2-ylthio)acetamide Formula: C24H24BrN5O2S2 MolecularWeight: 558.51366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CN2C3=C(C=C(C=C3)Br)C(=NNC(=O)CSC4=NC5=CC=CC=C5S4)C2=O

Isomeric SMILES

C1CCCN(CC1)CN2C3=C(C=C(C=C3)Br)C(=NNC(=O)CSC4=NC5=CC=CC=C5S4)C2=O

InChI

InChI=1S/C24H24BrN5O2S2/c25-16-9-10-19-17(13-16)22(23(32)30(19)15-29-11-5-1-2-6-12-29)28-27-21(31)14-33-24-26-18-7-3-4-8-20(18)34-24/h3-4,7-10,13H,1-2,5-6,11-12,14-15H2,(H,27,31)