methyl N-[6-[4-(pyridin-3-ylcarbonylamino)phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate

Systemtic Name: methyl N-[6-[4-(pyridin-3-ylcarbonylamino)phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate Openeye Name: methyl N-[6-[4-(pyridine-3-carbonylamino)phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate CAS Name: N-[6-[[4-[[oxo(3-pyridinyl)methyl]amino]phenyl]thio]-1H-benzimidazol-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[6-[4-(pyridine-3-carbonylamino)phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate Traditional Name: N-[6-[(4-nicotinamidophenyl)thio]-1H-benzimidazol-2-yl]carbamic acid methyl ester Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=C(C=C3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=C(C=C3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H17N5O3S/c1-29-21(28)26-20-24-17-9-8-16(11-18(17)25-20)30-15-6-4-14(5-7-15)23-19(27)13-3-2-10-22-12-13/h2-12H,1H3,(H,23,27)(H2,24,25,26,28)