[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-(5-methylsulfanylthiophen-2-yl)methanone

Systemtic Name: [4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-(5-methylsulfanylthiophen-2-yl)methanone Openeye Name: [4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-(5-methylsulfanyl-2-thienyl)methanone CAS Name: [4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]-[5-(methylthio)-2-thiophenyl]methanone IUPAC Name: [4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-(5-methylsulfanylthiophen-2-yl)methanone Traditional Name: [4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-[5-(methylthio)-2-thienyl]methanone Formula: C16H21N3O2S2 MolecularWeight: 351.48684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)C3=CC=C(S3)SC

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)C3=CC=C(S3)SC

InChI

InChI=1S/C16H21N3O2S2/c1-12-10-13(17-21-12)11-18-6-3-7-19(9-8-18)16(20)14-4-5-15(22-2)23-14/h4-5,10H,3,6-9,11H2,1-2H3