N-[2-[3-[(4-nitrophenyl)methylsulfanyl]indol-1-yl]ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[3-[(4-nitrophenyl)methylsulfanyl]indol-1-yl]ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[3-[(4-nitrophenyl)methylsulfanyl]indol-1-yl]ethyl]thiophene-2-carboxamide CAS Name: N-[2-[3-[(4-nitrophenyl)methylthio]-1-indolyl]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[3-[(4-nitrophenyl)methylsulfanyl]indol-1-yl]ethyl]thiophene-2-carboxamide Traditional Name: N-[2-[3-[(4-nitrobenzyl)thio]indol-1-yl]ethyl]thiophene-2-carboxamide Formula: C22H19N3O3S2 MolecularWeight: 437.53456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=CC=CS3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=CC=CS3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O3S2/c26-22(20-6-3-13-29-20)23-11-12-24-14-21(18-4-1-2-5-19(18)24)30-15-16-7-9-17(10-8-16)25(27)28/h1-10,13-14H,11-12,15H2,(H,23,26)