4-[2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-[2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-[2-(5-chloro-1-propyl-benzimidazol-2-yl)sulfanylacetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-[2-[(5-chloro-1-propyl-2-benzimidazolyl)thio]-1-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-[2-[(5-chloro-1-propyl-benzimidazol-2-yl)thio]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CC(OC4=CC=CC=C43)C(=O)N

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CC(OC4=CC=CC=C43)C(=O)N

InChI

InChI=1S/C21H21ClN4O3S/c1-2-9-25-15-8-7-13(22)10-14(15)24-21(25)30-12-19(27)26-11-18(20(23)28)29-17-6-4-3-5-16(17)26/h3-8,10,18H,2,9,11-12H2,1H3,(H2,23,28)