2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[5-bromanyl-1-[(4-methylpiperazin-1-yl)methyl]-2-oxidanylidene-indol-3-ylidene]amino]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[5-bromanyl-1-[(4-methylpiperazin-1-yl)methyl]-2-oxidanylidene-indol-3-ylidene]amino]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[5-bromo-1-[(4-methylpiperazin-1-yl)methyl]-2-oxo-indolin-3-ylidene]amino]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[[5-bromo-1-[(4-methyl-1-piperazinyl)methyl]-2-oxo-3-indolylidene]amino]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[5-bromo-1-[(4-methylpiperazin-1-yl)methyl]-2-oxoindol-3-ylidene]amino]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[[5-bromo-2-keto-1-[(4-methylpiperazino)methyl]indolin-3-ylidene]amino]acetamide Formula: C23H23BrN6O3S MolecularWeight: 543.43612

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CN2C3=C(C=C(C=C3)Br)C(=NNC(=O)CSC4=NC5=CC=CC=C5O4)C2=O

Isomeric SMILES

CN1CCN(CC1)CN2C3=C(C=C(C=C3)Br)C(=NNC(=O)CSC4=NC5=CC=CC=C5O4)C2=O

InChI

InChI=1S/C23H23BrN6O3S/c1-28-8-10-29(11-9-28)14-30-18-7-6-15(24)12-16(18)21(22(30)32)27-26-20(31)13-34-23-25-17-4-2-3-5-19(17)33-23/h2-7,12H,8-11,13-14H2,1H3,(H,26,31)