10-[3-[di(butan-2-yl)amino]propanoyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one

Systemtic Name: 10-[3-[di(butan-2-yl)amino]propanoyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Openeye Name: 10-[3-(disec-butylamino)propanoyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one CAS Name: 10-[3-[di(butan-2-yl)amino]-1-oxopropyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one IUPAC Name: 10-[3-[di(butan-2-yl)amino]propanoyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Traditional Name: 10-[3-(disec-butylamino)propanoyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CCC(=O)N1C2=CC=CC=C2NC(=O)C3=CSC=C31)C(C)CC

Isomeric SMILES

CCC(C)N(CCC(=O)N1C2=CC=CC=C2NC(=O)C3=CSC=C31)C(C)CC

InChI

InChI=1S/C22H29N3O2S/c1-5-15(3)24(16(4)6-2)12-11-21(26)25-19-10-8-7-9-18(19)23-22(27)17-13-28-14-20(17)25/h7-10,13-16H,5-6,11-12H2,1-4H3,(H,23,27)