3-[(Z)-[5-bromanyl-2-oxidanylidene-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]-2-methylsulfanyl-quinazolin-4-one

Systemtic Name: 3-[(Z)-[5-bromanyl-2-oxidanylidene-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]-2-methylsulfanyl-quinazolin-4-one Openeye Name: 3-[(Z)-[5-bromo-2-oxo-1-(1-piperidylmethyl)indolin-3-ylidene]amino]-2-methylsulfanyl-quinazolin-4-one CAS Name: 3-[(Z)-[5-bromo-2-oxo-1-(1-piperidinylmethyl)-3-indolylidene]amino]-2-(methylthio)-4-quinazolinone IUPAC Name: 3-[(Z)-[5-bromo-2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]-2-methylsulfanylquinazolin-4-one Traditional Name: 3-[(Z)-[5-bromo-2-keto-1-(piperidinomethyl)indolin-3-ylidene]amino]-2-(methylthio)quinazolin-4-one Formula: C23H22BrN5O2S MolecularWeight: 512.42208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=CC=C2C(=O)N1N=C3C4=C(C=CC(=C4)Br)N(C3=O)CN5CCCCC5

Isomeric SMILES

CSC1=NC2=CC=CC=C2C(=O)N1/N=C\3/C4=C(C=CC(=C4)Br)N(C3=O)CN5CCCCC5

InChI

InChI=1S/C23H22BrN5O2S/c1-32-23-25-18-8-4-3-7-16(18)21(30)29(23)26-20-17-13-15(24)9-10-19(17)28(22(20)31)14-27-11-5-2-6-12-27/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3/b26-20-