1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2,4-dimethoxyphenyl)urea

Systemtic Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2,4-dimethoxyphenyl)urea Openeye Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2,4-dimethoxyphenyl)urea CAS Name: 1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-3-(2,4-dimethoxyphenyl)urea IUPAC Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2,4-dimethoxyphenyl)urea Traditional Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2,4-dimethoxyphenyl)urea Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)NC2=NN=C(S2)N3CCCCCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)NC2=NN=C(S2)N3CCCCCC3)OC

InChI

InChI=1S/C17H23N5O3S/c1-24-12-7-8-13(14(11-12)25-2)18-15(23)19-16-20-21-17(26-16)22-9-5-3-4-6-10-22/h7-8,11H,3-6,9-10H2,1-2H3,(H2,18,19,20,23)