(6R)-5-butanoyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6R)-5-butanoyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: (6R)-5-butanoyl-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: (6R)-5-(1-oxobutyl)-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6R)-5-butanoyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: (6R)-5-butyryl-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(C2=C(CCCC2=O)NC3=CC=CC=C31)C4=CC=CS4

Isomeric SMILES

CCCC(=O)N1[C@H](C2=C(CCCC2=O)NC3=CC=CC=C31)C4=CC=CS4

InChI

InChI=1S/C21H22N2O2S/c1-2-7-19(25)23-16-10-4-3-8-14(16)22-15-9-5-11-17(24)20(15)21(23)18-12-6-13-26-18/h3-4,6,8,10,12-13,21-22H,2,5,7,9,11H2,1H3/t21-/m0/s1