3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxidanylidene-1,4-benzoxazin-7-yl]sulfanyl]-3-phenyl-propanoic acid

Systemtic Name: 3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxidanylidene-1,4-benzoxazin-7-yl]sulfanyl]-3-phenyl-propanoic acid Openeye Name: 3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxo-1,4-benzoxazin-7-yl]sulfanyl]-3-phenyl-propanoic acid CAS Name: 3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxo-1,4-benzoxazin-7-yl]thio]-3-phenylpropanoic acid IUPAC Name: 3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxo-1,4-benzoxazin-7-yl]sulfanyl]-3-phenylpropanoic acid Traditional Name: 3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-3-keto-1,4-benzoxazin-7-yl]thio]-3-phenyl-propionic acid Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=C(C=C2)SC(CC(=O)O)C3=CC=CC=C3)CCCCNC4=NC=CN4

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=C(C=C2)SC(CC(=O)O)C3=CC=CC=C3)CCCCNC4=NC=CN4

InChI

InChI=1S/C24H26N4O4S/c29-22-16-32-20-14-18(33-21(15-23(30)31)17-6-2-1-3-7-17)8-9-19(20)28(22)13-5-4-10-25-24-26-11-12-27-24/h1-3,6-9,11-12,14,21H,4-5,10,13,15-16H2,(H,30,31)(H2,25,26,27)