[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(3,5-dimethyl-1-benzofuran-2-yl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(3,5-dimethyl-1-benzofuran-2-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(3,5-dimethylbenzofuran-2-yl)methanone CAS Name: [4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(3,5-dimethyl-2-benzofuranyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(3,5-dimethyl-1-benzofuran-2-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(3,5-dimethylbenzofuran-2-yl)methanone Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCCN(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCCN(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H23N3O2S/c1-15-8-9-19-17(14-15)16(2)21(28-19)22(27)25-10-5-11-26(13-12-25)23-24-18-6-3-4-7-20(18)29-23/h3-4,6-9,14H,5,10-13H2,1-2H3