3-[3-oxidanylidene-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,5-dihydro-2,4-benzodiazepin-4-yl]benzenecarboximidamide

Systemtic Name: 3-[3-oxidanylidene-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,5-dihydro-2,4-benzodiazepin-4-yl]benzenecarboximidamide Openeye Name: 3-[3-oxo-2-[1-(2-thienylsulfonyl)-4-piperidyl]-1,5-dihydro-2,4-benzodiazepin-4-yl]benzamidine CAS Name: 3-[3-oxo-2-(1-thiophen-2-ylsulfonyl-4-piperidinyl)-1,5-dihydro-2,4-benzodiazepin-4-yl]benzenecarboximidamide IUPAC Name: 3-[3-oxo-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,5-dihydro-2,4-benzodiazepin-4-yl]benzenecarboximidamide Traditional Name: 3-[3-keto-2-[1-(2-thienylsulfonyl)-4-piperidyl]-1,5-dihydro-2,4-benzodiazepin-4-yl]benzamidine Formula: C25H27N5O3S2 MolecularWeight: 509.64358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CC3=CC=CC=C3CN(C2=O)C4=CC=CC(=C4)C(=N)N)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1N2CC3=CC=CC=C3CN(C2=O)C4=CC=CC(=C4)C(=N)N)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C25H27N5O3S2/c26-24(27)18-7-3-8-22(15-18)30-17-20-6-2-1-5-19(20)16-29(25(30)31)21-10-12-28(13-11-21)35(32,33)23-9-4-14-34-23/h1-9,14-15,21H,10-13,16-17H2,(H3,26,27)