N-(3-azanylpropyl)-N-phenyl-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxamide

Systemtic Name: N-(3-azanylpropyl)-N-phenyl-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxamide Openeye Name: N-(3-aminopropyl)-N-phenyl-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxamide CAS Name: N-(3-aminopropyl)-N-phenyl-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxamide IUPAC Name: N-(3-aminopropyl)-N-phenyl-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxamide Traditional Name: N-(3-aminopropyl)-N-phenyl-7-thiabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxamide Formula: C16H16N2OS MolecularWeight: 284.37604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCCN)C(=O)C2=C3C(=CC=C2)S3

Isomeric SMILES

C1=CC=C(C=C1)N(CCCN)C(=O)C2=C3C(=CC=C2)S3

InChI

InChI=1S/C16H16N2OS/c17-10-5-11-18(12-6-2-1-3-7-12)16(19)13-8-4-9-14-15(13)20-14/h1-4,6-9H,5,10-11,17H2