3-(4-methylphenyl)sulfonyl-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)propanamide

Systemtic Name: 3-(4-methylphenyl)sulfonyl-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)propanamide Openeye Name: N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)-3-(p-tolylsulfonyl)propanamide CAS Name: 3-(4-methylphenyl)sulfonyl-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)propanamide IUPAC Name: 3-(4-methylphenyl)sulfonyl-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)-3-tosyl-propionamide Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H21N3O5S2/c1-3-11-22-17-9-6-15(23(25)26)13-18(17)29-20(22)21-19(24)10-12-30(27,28)16-7-4-14(2)5-8-16/h4-9,13H,3,10-12H2,1-2H3