N-[(3S)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]thiophene-2-carboxamide

Systemtic Name: N-[(3S)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]thiophene-2-carboxamide Openeye Name: N-[(3S)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]thiophene-2-carboxamide CAS Name: N-[(3S)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-thiophenecarboxamide IUPAC Name: N-[(3S)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]thiophene-2-carboxamide Traditional Name: N-[(3S)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]thiophene-2-carboxamide Formula: C21H16FN3OS MolecularWeight: 377.434643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C(C1C3=CC=C(C=C3)F)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C([C@H]1C3=CC=C(C=C3)F)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H16FN3OS/c1-13-19(14-8-10-15(22)11-9-14)20(25-21(26)18-7-4-12-27-18)24-17-6-3-2-5-16(17)23-13/h2-12,19H,1H3,(H,24,25,26)/t19-/m1/s1