methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate; 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide

Systemtic Name: methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate; 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide Openeye Name: methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate; 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide CAS Name: N-[1-[butylamino(oxo)methyl]-2-benzimidazolyl]carbamic acid methyl ester; 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiin-5-carboxamide IUPAC Name: methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate; 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide Traditional Name: N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamic acid methyl ester; 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiin-5-carboxamide Formula: C26H31N5O5S MolecularWeight: 525.61984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC.CC1=C(SCCO1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC.CC1=C(SCCO1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C14H18N4O3.C12H13NO2S/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2;1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20);2-6H,7-8H2,1H3,(H,13,14)