5-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-6H-1,3,4-thiadiazin-2-amine

Systemtic Name: 5-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-6H-1,3,4-thiadiazin-2-amine Openeye Name: 5-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-N-(4-morpholinosulfonylphenyl)-6H-1,3,4-thiadiazin-2-amine CAS Name: 5-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-N-[4-(4-morpholinylsulfonyl)phenyl]-6H-1,3,4-thiadiazin-2-amine IUPAC Name: 5-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-6H-1,3,4-thiadiazin-2-amine Traditional Name: [5-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-6H-1,3,4-thiadiazin-2-yl]-(4-morpholinosulfonylphenyl)amine Formula: C27H31N5O3S2 MolecularWeight: 537.69674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=NN=C(SC3)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=NN=C(SC3)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C27H31N5O3S2/c1-20-18-25(21(2)32(20)13-12-22-6-4-3-5-7-22)26-19-36-27(30-29-26)28-23-8-10-24(11-9-23)37(33,34)31-14-16-35-17-15-31/h3-11,18H,12-17,19H2,1-2H3,(H,28,30)