1-(5-chloranylthiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxidanylidene-4-phenyl-isoquinolin-2-yl]phenyl]urea

Systemtic Name: 1-(5-chloranylthiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxidanylidene-4-phenyl-isoquinolin-2-yl]phenyl]urea Openeye Name: 1-[(5-chloro-2-thienyl)sulfonyl]-3-[4-[6-(methylamino)-1-oxo-4-phenyl-2-isoquinolyl]phenyl]urea CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-3-[4-[6-(methylamino)-1-oxo-4-phenyl-2-isoquinolinyl]phenyl]urea IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]phenyl]urea Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-3-[4-[1-keto-6-(methylamino)-4-phenyl-2-isoquinolyl]phenyl]urea Formula: C27H21ClN4O4S2 MolecularWeight: 565.06304

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC2=C(C=C1)C(=O)N(C=C2C3=CC=CC=C3)C4=CC=C(C=C4)NC(=O)NS(=O)(=O)C5=CC=C(S5)Cl

Isomeric SMILES

CNC1=CC2=C(C=C1)C(=O)N(C=C2C3=CC=CC=C3)C4=CC=C(C=C4)NC(=O)NS(=O)(=O)C5=CC=C(S5)Cl

InChI

InChI=1S/C27H21ClN4O4S2/c1-29-19-9-12-21-22(15-19)23(17-5-3-2-4-6-17)16-32(26(21)33)20-10-7-18(8-11-20)30-27(34)31-38(35,36)25-14-13-24(28)37-25/h2-16,29H,1H3,(H2,30,31,34)