N-(3-ethylphenyl)-2-[[2-(4-fluorophenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-ethylphenyl)-2-[[2-(4-fluorophenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]ethanamide Openeye Name: N-(3-ethylphenyl)-2-[[2-(4-fluorophenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide CAS Name: N-(3-ethylphenyl)-2-[[2-(4-fluorophenyl)-3H-1,5-benzodiazepin-4-yl]thio]acetamide IUPAC Name: N-(3-ethylphenyl)-2-[[2-(4-fluorophenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide Traditional Name: N-(3-ethylphenyl)-2-[[2-(4-fluorophenyl)-3H-1,5-benzodiazepin-4-yl]thio]acetamide Formula: C25H22FN3OS MolecularWeight: 431.525083

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C(C2)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C(C2)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H22FN3OS/c1-2-17-6-5-7-20(14-17)27-24(30)16-31-25-15-23(18-10-12-19(26)13-11-18)28-21-8-3-4-9-22(21)29-25/h3-14H,2,15-16H2,1H3,(H,27,30)