1-[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]-3-[(4-methoxyphenyl)methyl]thiourea

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]-3-[(4-methoxyphenyl)methyl]thiourea Openeye Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea CAS Name: 1-[[2-(1,3-benzothiazol-2-ylamino)-1-oxoethyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea IUPAC Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea Traditional Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-p-anisyl-thiourea Formula: C18H19N5O2S2 MolecularWeight: 401.50576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)NNC(=O)CNC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)NNC(=O)CNC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H19N5O2S2/c1-25-13-8-6-12(7-9-13)10-19-17(26)23-22-16(24)11-20-18-21-14-4-2-3-5-15(14)27-18/h2-9H,10-11H2,1H3,(H,20,21)(H,22,24)(H2,19,23,26)