1-(3-methoxyphenyl)-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]thiourea

Systemtic Name: 1-(3-methoxyphenyl)-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]thiourea Openeye Name: 1-(3-methoxyphenyl)-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]thiourea CAS Name: 1-(3-methoxyphenyl)-3-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]thiourea IUPAC Name: 1-(3-methoxyphenyl)-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]thiourea Traditional Name: 1-(3-methoxyphenyl)-3-[3-(4-phenylpiperazino)propanoylamino]thiourea Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NNC(=O)CCN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NNC(=O)CCN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N5O2S/c1-28-19-9-5-6-17(16-19)22-21(29)24-23-20(27)10-11-25-12-14-26(15-13-25)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H,23,27)(H2,22,24,29)