3-(1,3-benzodioxol-5-ylmethylideneamino)-4-(3-bromophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylideneamino)-4-(3-bromophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine Openeye Name: 3-(1,3-benzodioxol-5-ylmethyleneamino)-4-(3-bromophenyl)-N-(4-morpholinosulfonylphenyl)thiazol-2-imine CAS Name: 3-(1,3-benzodioxol-5-ylmethylideneamino)-4-(3-bromophenyl)-N-[4-(4-morpholinylsulfonyl)phenyl]-2-thiazolimine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylideneamino)-4-(3-bromophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine Traditional Name: [4-(3-bromophenyl)-2-(4-morpholinosulfonylphenyl)imino-4-thiazolin-3-yl]-piperonylidene-amine Formula: C27H23BrN4O5S2 MolecularWeight: 627.52932

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)N=C3N(C(=CS3)C4=CC(=CC=C4)Br)N=CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)N=C3N(C(=CS3)C4=CC(=CC=C4)Br)N=CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H23BrN4O5S2/c28-21-3-1-2-20(15-21)24-17-38-27(32(24)29-16-19-4-9-25-26(14-19)37-18-36-25)30-22-5-7-23(8-6-22)39(33,34)31-10-12-35-13-11-31/h1-9,14-17H,10-13,18H2