2-[(3R)-3-azanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide

Systemtic Name: 2-[(3R)-3-azanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[(3R)-3-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[(3R)-3-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[(3R)-3-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[(3R)-3-amino-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C2=CC=CC=C2S1)CC(=O)NCC3=CC=C(C=C3)C(=N)N)N

Isomeric SMILES

C1[C@@H](C(=O)N(C2=CC=CC=C2S1)CC(=O)NCC3=CC=C(C=C3)C(=N)N)N

InChI

InChI=1S/C19H21N5O2S/c20-14-11-27-16-4-2-1-3-15(16)24(19(14)26)10-17(25)23-9-12-5-7-13(8-6-12)18(21)22/h1-8,14H,9-11,20H2,(H3,21,22)(H,23,25)/t14-/m0/s1