3-azanyl-6-nitro-N-phenyl-4-phenylsulfanyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-azanyl-6-nitro-N-phenyl-4-phenylsulfanyl-1-benzothiophene-2-carboxamide Openeye Name: 3-amino-6-nitro-N-phenyl-4-phenylsulfanyl-benzothiophene-2-carboxamide CAS Name: 3-amino-6-nitro-N-phenyl-4-(phenylthio)-1-benzothiophene-2-carboxamide IUPAC Name: 3-amino-6-nitro-N-phenyl-4-phenylsulfanyl-1-benzothiophene-2-carboxamide Traditional Name: 3-amino-6-nitro-N-phenyl-4-(phenylthio)benzothiophene-2-carboxamide Formula: C21H15N3O3S2 MolecularWeight: 421.4921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3SC4=CC=CC=C4)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3SC4=CC=CC=C4)[N+](=O)[O-])N

InChI

InChI=1S/C21H15N3O3S2/c22-19-18-16(28-15-9-5-2-6-10-15)11-14(24(26)27)12-17(18)29-20(19)21(25)23-13-7-3-1-4-8-13/h1-12H,22H2,(H,23,25)