1-[(E)-(2-nitro-5-piperidin-1-yl-phenyl)methylideneamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(E)-(2-nitro-5-piperidin-1-yl-phenyl)methylideneamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(E)-[2-nitro-5-(1-piperidyl)phenyl]methyleneamino]thiourea CAS Name: 1-[(E)-[2-nitro-5-(1-piperidinyl)phenyl]methylideneamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(E)-(2-nitro-5-piperidin-1-ylphenyl)methylideneamino]thiourea Traditional Name: 1-benzyl-3-[(E)-(2-nitro-5-piperidino-benzylidene)amino]thiourea Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])C=NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])/C=N/NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H23N5O2S/c26-25(27)19-10-9-18(24-11-5-2-6-12-24)13-17(19)15-22-23-20(28)21-14-16-7-3-1-4-8-16/h1,3-4,7-10,13,15H,2,5-6,11-12,14H2,(H2,21,23,28)/b22-15+