N-[4-[2-sulfanylidene-9-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-5-yl]phenyl]propanamide

Systemtic Name: N-[4-[2-sulfanylidene-9-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-5-yl]phenyl]propanamide Openeye Name: N-[4-[2-thioxo-9-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-5-yl]phenyl]propanamide CAS Name: N-[4-[2-sulfanylidene-9-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-5-yl]phenyl]propanamide IUPAC Name: N-[4-[2-sulfanylidene-9-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-5-yl]phenyl]propanamide Traditional Name: N-[4-[2-thioxo-9-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-5-yl]phenyl]propionamide Formula: C19H16F3N3OS MolecularWeight: 391.41005

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C2=NCC(=S)NC3=C2C=CC=C3C(F)(F)F

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C2=NCC(=S)NC3=C2C=CC=C3C(F)(F)F

InChI

InChI=1S/C19H16F3N3OS/c1-2-15(26)24-12-8-6-11(7-9-12)17-13-4-3-5-14(19(20,21)22)18(13)25-16(27)10-23-17/h3-9H,2,10H2,1H3,(H,24,26)(H,25,27)