[4-[[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]methylideneamino]phenyl] thiocyanate

Systemtic Name: [4-[[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]methylideneamino]phenyl] thiocyanate Openeye Name: [4-[[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]methyleneamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2,5-dimethyl-1-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-3-pyrrolyl]methylideneamino]phenyl] ester IUPAC Name: [4-[[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]methylideneamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)pyrrol-3-yl]methyleneamino]phenyl] ester Formula: C28H31N5O3S2 MolecularWeight: 549.70744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C)C=NC5=CC=C(C=C5)SC#N

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C)C=NC5=CC=C(C=C5)SC#N

InChI

InChI=1S/C28H31N5O3S2/c1-21-17-23(19-30-24-5-7-25(8-6-24)37-20-29)22(2)33(21)28-18-26(9-10-27(28)31-11-3-4-12-31)38(34,35)32-13-15-36-16-14-32/h5-10,17-19H,3-4,11-16H2,1-2H3