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

Systemtic Name: N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[5-[(3-nitrophenyl)methyl]thiazol-2-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[5-[(3-nitrophenyl)methyl]-2-thiazolyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[5-(3-nitrobenzyl)thiazol-2-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NC3=NC=C(S3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NC3=NC=C(S3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O3S2/c23-18(16-11-26-17-7-2-1-6-15(16)17)21-19-20-10-14(27-19)9-12-4-3-5-13(8-12)22(24)25/h3-5,8,10-11H,1-2,6-7,9H2,(H,20,21,23)