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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[1-[(4-methylpiperazin-1-yl)methyl]-2-oxidanylidene-indol-3-ylidene]amino]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[1-[(4-methylpiperazin-1-yl)methyl]-2-oxo-indolin-3-ylidene]amino]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[[1-[(4-methyl-1-piperazinyl)methyl]-2-oxo-3-indolylidene]amino]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[1-[(4-methylpiperazin-1-yl)methyl]-2-oxoindol-3-ylidene]amino]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[[2-keto-1-[(4-methylpiperazino)methyl]indolin-3-ylidene]amino]acetamide Formula: C23H24N6O3S MolecularWeight: 464.54006

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CN2C3=CC=CC=C3C(=NNC(=O)CSC4=NC5=CC=CC=C5O4)C2=O

Isomeric SMILES

CN1CCN(CC1)CN2C3=CC=CC=C3C(=NNC(=O)CSC4=NC5=CC=CC=C5O4)C2=O

InChI

InChI=1S/C23H24N6O3S/c1-27-10-12-28(13-11-27)15-29-18-8-4-2-6-16(18)21(22(29)31)26-25-20(30)14-33-23-24-17-7-3-5-9-19(17)32-23/h2-9H,10-15H2,1H3,(H,25,30)