2-(1,4-diazepan-1-ylmethyl)-5,6,7-trimethoxy-1,3-benzothiazole

Systemtic Name: 2-(1,4-diazepan-1-ylmethyl)-5,6,7-trimethoxy-1,3-benzothiazole Openeye Name: 2-(1,4-diazepan-1-ylmethyl)-5,6,7-trimethoxy-1,3-benzothiazole CAS Name: 2-(1,4-diazepan-1-ylmethyl)-5,6,7-trimethoxy-1,3-benzothiazole IUPAC Name: 2-(1,4-diazepan-1-ylmethyl)-5,6,7-trimethoxy-1,3-benzothiazole Traditional Name: 2-(1,4-diazepan-1-ylmethyl)-5,6,7-trimethoxy-1,3-benzothiazole Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)N=C(S2)CN3CCCNCC3)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)N=C(S2)CN3CCCNCC3)OC)OC

InChI

InChI=1S/C16H23N3O3S/c1-20-12-9-11-16(15(22-3)14(12)21-2)23-13(18-11)10-19-7-4-5-17-6-8-19/h9,17H,4-8,10H2,1-3H3