1-[5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenyl-urea

Systemtic Name: 1-[5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenyl-urea Openeye Name: 1-[5-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenyl-urea CAS Name: 1-[5-[[2-(1-azepanyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-phenylurea IUPAC Name: 1-[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylurea Traditional Name: 1-[5-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-phenyl-urea Formula: C17H21N5O2S2 MolecularWeight: 391.51094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(S2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(S2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C17H21N5O2S2/c23-14(22-10-6-1-2-7-11-22)12-25-17-21-20-16(26-17)19-15(24)18-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H2,18,19,20,24)