3-(2,1,3-benzoxadiazol-4-yl)-1,1-bis(phenylmethyl)thiourea

Systemtic Name: 3-(2,1,3-benzoxadiazol-4-yl)-1,1-bis(phenylmethyl)thiourea Openeye Name: 3-(2,1,3-benzoxadiazol-4-yl)-1,1-dibenzyl-thiourea CAS Name: 3-(2,1,3-benzoxadiazol-4-yl)-1,1-bis(phenylmethyl)thiourea IUPAC Name: 3-(2,1,3-benzoxadiazol-4-yl)-1,1-dibenzylthiourea Traditional Name: 3-benzofurazan-4-yl-1,1-dibenzyl-thiourea Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)NC3=CC=CC4=NON=C43

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)NC3=CC=CC4=NON=C43

InChI

InChI=1S/C21H18N4OS/c27-21(22-18-12-7-13-19-20(18)24-26-23-19)25(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,22,27)