N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]thieno[3,2-b][1]benzothiole-2-carboxamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]thieno[3,2-b][1]benzothiole-2-carboxamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]thieno[3,2-b]benzothiophene-2-carboxamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-thieno[3,2-b][1]benzothiolecarboxamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]thieno[3,2-b][1]benzothiole-2-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]thieno[3,2-b]benzothiophene-2-carboxamide Formula: C20H17N3O5S3 MolecularWeight: 475.56108

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC3=C(S2)C4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC3=C(S2)C4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5S3/c1-31(27,28)12-6-7-14(15(10-12)23(25)26)21-8-9-22-20(24)18-11-17-19(30-18)13-4-2-3-5-16(13)29-17/h2-7,10-11,21H,8-9H2,1H3,(H,22,24)