5-nitro-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide

Systemtic Name: 5-nitro-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide Openeye Name: N-(6-isopropyl-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzothiophene-2-carboxamide CAS Name: 5-nitro-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide IUPAC Name: 5-nitro-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide Traditional Name: N-(6-isopropyl-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzothiophene-2-carboxamide Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)C(C)C)SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)C(C)C)SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O3S2/c1-4-9-24-17-7-5-14(13(2)3)11-19(17)30-22(24)23-21(26)20-12-15-10-16(25(27)28)6-8-18(15)29-20/h5-8,10-13H,4,9H2,1-3H3