(E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(4-methyl-2-oxidanylidene-3,5-dihydro-1H-1,4-benzodiazepin-7-yl)prop-2-enamide

Systemtic Name: (E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(4-methyl-2-oxidanylidene-3,5-dihydro-1H-1,4-benzodiazepin-7-yl)prop-2-enamide Openeye Name: (E)-N-methyl-N-[(3-methylbenzothiophen-2-yl)methyl]-3-(4-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-7-yl)prop-2-enamide CAS Name: (E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(4-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-7-yl)-2-propenamide IUPAC Name: (E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(4-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-7-yl)prop-2-enamide Traditional Name: (E)-3-(2-keto-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-7-yl)-N-methyl-N-[(3-methylbenzothiophen-2-yl)methyl]acrylamide Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CN(C)C(=O)C=CC3=CC4=C(C=C3)NC(=O)CN(C4)C

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CN(C)C(=O)/C=C/C3=CC4=C(C=C3)NC(=O)CN(C4)C

InChI

InChI=1S/C24H25N3O2S/c1-16-19-6-4-5-7-21(19)30-22(16)14-27(3)24(29)11-9-17-8-10-20-18(12-17)13-26(2)15-23(28)25-20/h4-12H,13-15H2,1-3H3,(H,25,28)/b11-9+