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

Systemtic Name: 1-(5-chloranylthiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxidanylidene-isoquinolin-2-yl]phenyl]urea Openeye Name: 1-[(5-chloro-2-thienyl)sulfonyl]-3-[4-[6-(methylamino)-1-oxo-2-isoquinolyl]phenyl]urea CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-3-[4-[6-(methylamino)-1-oxo-2-isoquinolinyl]phenyl]urea IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]urea Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-3-[4-[1-keto-6-(methylamino)-2-isoquinolyl]phenyl]urea Formula: C21H17ClN4O4S2 MolecularWeight: 488.96708

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC2=C(C=C1)C(=O)N(C=C2)C3=CC=C(C=C3)NC(=O)NS(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

CNC1=CC2=C(C=C1)C(=O)N(C=C2)C3=CC=C(C=C3)NC(=O)NS(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H17ClN4O4S2/c1-23-15-4-7-17-13(12-15)10-11-26(20(17)27)16-5-2-14(3-6-16)24-21(28)25-32(29,30)19-9-8-18(22)31-19/h2-12,23H,1H3,(H2,24,25,28)