(4,5-dimethylfuran-2-yl)-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4,5-dimethylfuran-2-yl)-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4,5-dimethyl-2-furyl)-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (4,5-dimethyl-2-furanyl)-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4,5-dimethylfuran-2-yl)-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (4,5-dimethyl-2-furyl)-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C(=O)N2CCCN(CC2)CC3=NC=CS3)C

Isomeric SMILES

CC1=C(OC(=C1)C(=O)N2CCCN(CC2)CC3=NC=CS3)C

InChI

InChI=1S/C16H21N3O2S/c1-12-10-14(21-13(12)2)16(20)19-6-3-5-18(7-8-19)11-15-17-4-9-22-15/h4,9-10H,3,5-8,11H2,1-2H3