1-butyl-3-(2-methyl-1,3-benzothiazol-6-yl)thiourea

Systemtic Name: 1-butyl-3-(2-methyl-1,3-benzothiazol-6-yl)thiourea Openeye Name: 1-butyl-3-(2-methyl-1,3-benzothiazol-6-yl)thiourea CAS Name: 1-butyl-3-(2-methyl-1,3-benzothiazol-6-yl)thiourea IUPAC Name: 1-butyl-3-(2-methyl-1,3-benzothiazol-6-yl)thiourea Traditional Name: 1-butyl-3-(2-methyl-1,3-benzothiazol-6-yl)thiourea Formula: C13H17N3S2 MolecularWeight: 279.42418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC2=C(C=C1)N=C(S2)C

Isomeric SMILES

CCCCNC(=S)NC1=CC2=C(C=C1)N=C(S2)C

InChI

InChI=1S/C13H17N3S2/c1-3-4-7-14-13(17)16-10-5-6-11-12(8-10)18-9(2)15-11/h5-6,8H,3-4,7H2,1-2H3,(H2,14,16,17)