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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[5-bromanyl-2-oxidanylidene-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[5-bromo-2-oxo-1-(1-piperidylmethyl)indolin-3-ylidene]amino]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[[5-bromo-2-oxo-1-(1-piperidinylmethyl)-3-indolylidene]amino]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[5-bromo-2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[[5-bromo-2-keto-1-(piperidinomethyl)indolin-3-ylidene]amino]acetamide Formula: C23H22BrN5O3S MolecularWeight: 528.42148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CN2C3=C(C=C(C=C3)Br)C(=NNC(=O)CSC4=NC5=CC=CC=C5O4)C2=O

Isomeric SMILES

C1CCN(CC1)CN2C3=C(C=C(C=C3)Br)C(=NNC(=O)CSC4=NC5=CC=CC=C5O4)C2=O

InChI

InChI=1S/C23H22BrN5O3S/c24-15-8-9-18-16(12-15)21(22(31)29(18)14-28-10-4-1-5-11-28)27-26-20(30)13-33-23-25-17-6-2-3-7-19(17)32-23/h2-3,6-9,12H,1,4-5,10-11,13-14H2,(H,26,30)