N-(aminomethyl)-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoylamino]butanamide

Systemtic Name: N-(aminomethyl)-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoylamino]butanamide Openeye Name: N-(aminomethyl)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]amino]butanamide CAS Name: N-(aminomethyl)-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethyl]amino]butanamide IUPAC Name: N-(aminomethyl)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]amino]butanamide Traditional Name: N-(aminomethyl)-2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]amino]butyramide Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCN)NC(=O)CN1C(=O)CCSC2=CC=CC=C21

Isomeric SMILES

CCC(C(=O)NCN)NC(=O)CN1C(=O)CCSC2=CC=CC=C21

InChI

InChI=1S/C16H22N4O3S/c1-2-11(16(23)18-10-17)19-14(21)9-20-12-5-3-4-6-13(12)24-8-7-15(20)22/h3-6,11H,2,7-10,17H2,1H3,(H,18,23)(H,19,21)