3-(2,1,3-benzothiadiazol-5-yl)-1-(phenylmethyl)-1-propyl-urea

Systemtic Name: 3-(2,1,3-benzothiadiazol-5-yl)-1-(phenylmethyl)-1-propyl-urea Openeye Name: 3-(2,1,3-benzothiadiazol-5-yl)-1-benzyl-1-propyl-urea CAS Name: 3-(2,1,3-benzothiadiazol-5-yl)-1-(phenylmethyl)-1-propylurea IUPAC Name: 3-(2,1,3-benzothiadiazol-5-yl)-1-benzyl-1-propylurea Traditional Name: 1-benzyl-3-piazthiol-5-yl-1-propyl-urea Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)C(=O)NC2=CC3=NSN=C3C=C2

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(=O)NC2=CC3=NSN=C3C=C2

InChI

InChI=1S/C17H18N4OS/c1-2-10-21(12-13-6-4-3-5-7-13)17(22)18-14-8-9-15-16(11-14)20-23-19-15/h3-9,11H,2,10,12H2,1H3,(H,18,22)