1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]methyl]-3-propan-2-yl-benzimidazole-2-thione

Systemtic Name: 1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]methyl]-3-propan-2-yl-benzimidazole-2-thione Openeye Name: 1-[[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methyl]-3-isopropyl-benzimidazole-2-thione CAS Name: 1-[[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1,4-diazepan-1-yl]methyl]-3-propan-2-yl-2-benzimidazolethione IUPAC Name: 1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]methyl]-3-propan-2-ylbenzimidazole-2-thione Traditional Name: 1-[[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methyl]-3-isopropyl-benzimidazole-2-thione Formula: C21H29N5O3S2 MolecularWeight: 463.61666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)CN3C4=CC=CC=C4N(C3=S)C(C)C

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)CN3C4=CC=CC=C4N(C3=S)C(C)C

InChI

InChI=1S/C21H29N5O3S2/c1-15(2)26-19-9-6-5-8-18(19)25(21(26)30)14-23-10-7-11-24(13-12-23)31(27,28)20-16(3)22-29-17(20)4/h5-6,8-9,15H,7,10-14H2,1-4H3