1-[1,3-benzoxazol-2-yl(2-cyanoethyl)amino]-3-methyl-thiourea

Systemtic Name: 1-[1,3-benzoxazol-2-yl(2-cyanoethyl)amino]-3-methyl-thiourea Openeye Name: 1-[1,3-benzoxazol-2-yl(2-cyanoethyl)amino]-3-methyl-thiourea CAS Name: 1-[1,3-benzoxazol-2-yl(2-cyanoethyl)amino]-3-methylthiourea IUPAC Name: 1-[1,3-benzoxazol-2-yl(2-cyanoethyl)amino]-3-methylthiourea Traditional Name: 1-[1,3-benzoxazol-2-yl(2-cyanoethyl)amino]-3-methyl-thiourea Formula: C12H13N5OS MolecularWeight: 275.32952

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NN(CCC#N)C1=NC2=CC=CC=C2O1

Isomeric SMILES

CNC(=S)NN(CCC#N)C1=NC2=CC=CC=C2O1

InChI

InChI=1S/C12H13N5OS/c1-14-11(19)16-17(8-4-7-13)12-15-9-5-2-3-6-10(9)18-12/h2-3,5-6H,4,8H2,1H3,(H2,14,16,19)