2-azanyl-N-[(3-nitrophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-azanyl-N-[(3-nitrophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-amino-N-[(3-nitrophenyl)methyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-amino-N-[(3-nitrophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-amino-N-[(3-nitrophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-amino-N-(3-nitrobenzyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N)C(=O)NCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N)C(=O)NCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O3S/c17-15-14(12-6-1-2-7-13(12)23-15)16(20)18-9-10-4-3-5-11(8-10)19(21)22/h3-5,8H,1-2,6-7,9,17H2,(H,18,20)