3-[4-(3-methoxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-N-methylsulfonyl-propanamide

Systemtic Name: 3-[4-(3-methoxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-N-methylsulfonyl-propanamide Openeye Name: 3-[4-(3-methoxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-N-methylsulfonyl-propanamide CAS Name: 3-[4-(3-methoxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)-1-piperazinyl]-N-methylsulfonylpropanamide IUPAC Name: 3-[4-(3-methoxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-N-methylsulfonylpropanamide Traditional Name: N-mesyl-3-[4-(3-methoxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazino]propionamide Formula: C20H25N5O4S2 MolecularWeight: 463.5736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CSC2=NC3=CC=CC=C3NC(=C12)N4CCN(CC4)CCC(=O)NS(=O)(=O)C

Isomeric SMILES

COC1=CSC2=NC3=CC=CC=C3NC(=C12)N4CCN(CC4)CCC(=O)NS(=O)(=O)C

InChI

InChI=1S/C20H25N5O4S2/c1-29-16-13-30-20-18(16)19(21-14-5-3-4-6-15(14)22-20)25-11-9-24(10-12-25)8-7-17(26)23-31(2,27)28/h3-6,13,21H,7-12H2,1-2H3,(H,23,26)