(2E)-2-(4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)-1-benzothiophen-3-one

Systemtic Name: (2E)-2-(4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)-1-benzothiophen-3-one Openeye Name: (2E)-2-(4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)benzothiophen-3-one CAS Name: (2E)-2-(4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)-1-benzothiophen-3-one IUPAC Name: (2E)-2-(4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)-1-benzothiophen-3-one Traditional Name: (2E)-2-(4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)benzothiophen-3-one Formula: C19H18N2OS MolecularWeight: 322.42402

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C2C(=O)C3=CC=CC=C3S2)NC4=CC=CC=C4N1)C

Isomeric SMILES

CC1(C/C(=C\2/C(=O)C3=CC=CC=C3S2)/NC4=CC=CC=C4N1)C

InChI

InChI=1S/C19H18N2OS/c1-19(2)11-15(20-13-8-4-5-9-14(13)21-19)18-17(22)12-7-3-6-10-16(12)23-18/h3-10,20-21H,11H2,1-2H3/b18-15+