5-nitro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-1-benzothiophene-2-carboxamide

Systemtic Name: 5-nitro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-1-benzothiophene-2-carboxamide Openeye Name: N-allyl-5-nitro-N-(4-phenylthiazol-2-yl)benzothiophene-2-carboxamide CAS Name: 5-nitro-N-(4-phenyl-2-thiazolyl)-N-prop-2-enyl-1-benzothiophene-2-carboxamide IUPAC Name: 5-nitro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-1-benzothiophene-2-carboxamide Traditional Name: N-allyl-5-nitro-N-(4-phenylthiazol-2-yl)benzothiophene-2-carboxamide Formula: C21H15N3O3S2 MolecularWeight: 421.4921

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C=CCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O3S2/c1-2-10-23(21-22-17(13-28-21)14-6-4-3-5-7-14)20(25)19-12-15-11-16(24(26)27)8-9-18(15)29-19/h2-9,11-13H,1,10H2