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

Systemtic Name: 1-[5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-thiophen-2-yl-urea Openeye Name: 1-[5-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-(2-thienyl)urea CAS Name: 1-[5-[[2-(1-azepanyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-thiophen-2-ylurea IUPAC Name: 1-[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-thiophen-2-ylurea Traditional Name: 1-[5-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-(2-thienyl)urea Formula: C15H19N5O2S3 MolecularWeight: 397.53866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(S2)NC(=O)NC3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(S2)NC(=O)NC3=CC=CS3

InChI

InChI=1S/C15H19N5O2S3/c21-12(20-7-3-1-2-4-8-20)10-24-15-19-18-14(25-15)17-13(22)16-11-6-5-9-23-11/h5-6,9H,1-4,7-8,10H2,(H2,16,17,18,22)