N-[5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide hydrate

Systemtic Name: N-[5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide hydrate Openeye Name: N-[5-(2-morpholino-2-oxo-ethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide hydrate CAS Name: N-[5-[2-(4-morpholinyl)-2-oxoethyl]-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide hydrate IUPAC Name: N-[5-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide hydrate Traditional Name: N-[4-keto-5-(2-keto-2-morpholino-ethyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide hydrate Formula: C30H30N4O5S MolecularWeight: 558.648

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CN2C3=CC=CC=C3SC(C(C2=O)NC(=O)C4=CC5=CC=CC=C5N4)C6=CC=CC=C6.O

Isomeric SMILES

C1COCCN1C(=O)CN2C3=CC=CC=C3SC(C(C2=O)NC(=O)C4=CC5=CC=CC=C5N4)C6=CC=CC=C6.O

InChI

InChI=1S/C30H28N4O4S.H2O/c35-26(33-14-16-38-17-15-33)19-34-24-12-6-7-13-25(24)39-28(20-8-2-1-3-9-20)27(30(34)37)32-29(36)23-18-21-10-4-5-11-22(21)31-23;/h1-13,18,27-28,31H,14-17,19H2,(H,32,36);1H2