1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(1,3,4-thiadiazol-2-yl)urea

Systemtic Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(1,3,4-thiadiazol-2-yl)urea Openeye Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(1,3,4-thiadiazol-2-yl)urea CAS Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(1,3,4-thiadiazol-2-yl)urea IUPAC Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(1,3,4-thiadiazol-2-yl)urea Traditional Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(1,3,4-thiadiazol-2-yl)urea Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)NC1=NN=CS1)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCC(CNC(=O)NC1=NN=CS1)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C16H21N5OS/c1-2-14(9-17-15(22)19-16-20-18-11-23-16)21-8-7-12-5-3-4-6-13(12)10-21/h3-6,11,14H,2,7-10H2,1H3,(H2,17,19,20,22)