N-[(2R,3S)-5-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]benzamide

Systemtic Name: N-[(2R,3S)-5-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]benzamide Openeye Name: N-[(2R,3S)-5-(2-amino-2-oxo-ethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]benzamide CAS Name: N-[(2R,3S)-5-(2-amino-2-oxoethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]benzamide IUPAC Name: N-[(2R,3S)-5-(2-amino-2-oxoethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]benzamide Traditional Name: N-[(2R,3S)-5-(2-amino-2-keto-ethyl)-4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]benzamide Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CC(=O)N)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2[C@H](C(=O)N(C3=CC=CC=C3S2)CC(=O)N)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H21N3O3S/c25-20(28)15-27-18-13-7-8-14-19(18)31-22(16-9-3-1-4-10-16)21(24(27)30)26-23(29)17-11-5-2-6-12-17/h1-14,21-22H,15H2,(H2,25,28)(H,26,29)/t21-,22-/m1/s1