N-(1,3-benzothiazol-2-ylmethyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propionamide Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C19H21N3O3S2/c1-13-7-8-15(11-14(13)2)27(24,25)21-10-9-18(23)20-12-19-22-16-5-3-4-6-17(16)26-19/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,23)