5-(3-methylphenyl)-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-3H-thieno[2,3-e][1,4]diazepin-2-one

Systemtic Name: 5-(3-methylphenyl)-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-3H-thieno[2,3-e][1,4]diazepin-2-one Openeye Name: 5-(m-tolyl)-1-[2-oxo-2-(1-piperidyl)ethyl]-3H-thieno[2,3-e][1,4]diazepin-2-one CAS Name: 5-(3-methylphenyl)-1-[2-oxo-2-(1-piperidinyl)ethyl]-3H-thieno[2,3-e][1,4]diazepin-2-one IUPAC Name: 5-(3-methylphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)-3H-thieno[2,3-e][1,4]diazepin-2-one Traditional Name: 1-(2-keto-2-piperidino-ethyl)-5-(m-tolyl)-3H-thieno[2,3-e][1,4]diazepin-2-one Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NCC(=O)N(C3=C2C=CS3)CC(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NCC(=O)N(C3=C2C=CS3)CC(=O)N4CCCCC4

InChI

InChI=1S/C21H23N3O2S/c1-15-6-5-7-16(12-15)20-17-8-11-27-21(17)24(18(25)13-22-20)14-19(26)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10,13-14H2,1H3