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

Systemtic Name: 3-(1,2,3-benzothiadiazol-5-yl)-1-(phenylmethyl)-1-propyl-urea Openeye Name: 3-(1,2,3-benzothiadiazol-5-yl)-1-benzyl-1-propyl-urea CAS Name: 3-(1,2,3-benzothiadiazol-5-yl)-1-(phenylmethyl)-1-propylurea IUPAC Name: 3-(1,2,3-benzothiadiazol-5-yl)-1-benzyl-1-propylurea Traditional Name: 3-(1,2,3-benzothiadiazol-5-yl)-1-benzyl-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=C(C=C2)SN=N3

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)SN=N3

InChI

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