1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-[(4-methoxyphenyl)methyl]thiourea

Systemtic Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-[(4-methoxyphenyl)methyl]thiourea Openeye Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-[(4-methoxyphenyl)methyl]thiourea CAS Name: 1-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea IUPAC Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-[(4-methoxyphenyl)methyl]thiourea Traditional Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-p-anisyl-thiourea Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)NNC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)NNC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H20N4O2S2/c1-25-14-8-6-13(7-9-14)12-20-19(26)23-22-17(24)10-11-18-21-15-4-2-3-5-16(15)27-18/h2-9H,10-12H2,1H3,(H,22,24)(H2,20,23,26)