7-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[oxo-[4-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C21H21N5O3S2 MolecularWeight: 455.55314

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=NC(=NO4)C5=CSC=C5)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=NC(=NO4)C5=CSC=C5)NC1=O

InChI

InChI=1S/C21H21N5O3S2/c27-18-4-10-31-17-2-1-14(11-16(17)22-18)21(28)26-7-5-25(6-8-26)12-19-23-20(24-29-19)15-3-9-30-13-15/h1-3,9,11,13H,4-8,10,12H2,(H,22,27)