1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea

Systemtic Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea Openeye Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea IUPAC Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C20H22N4OS2/c1-3-14-8-6-7-13(2)19(14)22-20(26)24-23-17(25)11-12-18-21-15-9-4-5-10-16(15)27-18/h4-10H,3,11-12H2,1-2H3,(H,23,25)(H2,22,24,26)