3-[4-(1,3-benzodioxol-5-yl)-2-(4-methylsulfonylphenyl)imino-1,3-thiazol-3-yl]propan-1-amine

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)-2-(4-methylsulfonylphenyl)imino-1,3-thiazol-3-yl]propan-1-amine Openeye Name: 3-[4-(1,3-benzodioxol-5-yl)-2-(4-methylsulfonylphenyl)imino-thiazol-3-yl]propan-1-amine CAS Name: 3-[4-(1,3-benzodioxol-5-yl)-2-(4-methylsulfonylphenyl)imino-3-thiazolyl]-1-propanamine IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)-2-(4-methylsulfonylphenyl)imino-1,3-thiazol-3-yl]propan-1-amine Traditional Name: 3-[4-(1,3-benzodioxol-5-yl)-2-(4-mesylphenyl)imino-4-thiazolin-3-yl]propylamine Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCO4)CCCN

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCO4)CCCN

InChI

InChI=1S/C20H21N3O4S2/c1-29(24,25)16-6-4-15(5-7-16)22-20-23(10-2-9-21)17(12-28-20)14-3-8-18-19(11-14)27-13-26-18/h3-8,11-12H,2,9-10,13,21H2,1H3