1-(phenylmethyl)-3-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]thiourea

Systemtic Name: 1-(phenylmethyl)-3-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]thiourea Openeye Name: 1-benzyl-3-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]thiourea CAS Name: 1-[[oxo-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]methyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]thiourea Traditional Name: 1-benzyl-3-[[1-[(E)-3-phenylacryloyl]isonipecotoyl]amino]thiourea Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NNC(=S)NCC2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NNC(=S)NCC2=CC=CC=C2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H26N4O2S/c28-21(12-11-18-7-3-1-4-8-18)27-15-13-20(14-16-27)22(29)25-26-23(30)24-17-19-9-5-2-6-10-19/h1-12,20H,13-17H2,(H,25,29)(H2,24,26,30)/b12-11+