3-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 3-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[(4-mesyl-1,4-diazepan-1-yl)methyl]-1,3-benzoxazole-2-thione Formula: C14H19N3O3S2 MolecularWeight: 341.44896

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)CN2C3=CC=CC=C3OC2=S

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)CN2C3=CC=CC=C3OC2=S

InChI

InChI=1S/C14H19N3O3S2/c1-22(18,19)16-8-4-7-15(9-10-16)11-17-12-5-2-3-6-13(12)20-14(17)21/h2-3,5-6H,4,7-11H2,1H3