1-[(E)-(4-morpholin-4-yl-3-nitro-phenyl)methylideneamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(E)-(4-morpholin-4-yl-3-nitro-phenyl)methylideneamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(E)-(4-morpholino-3-nitro-phenyl)methyleneamino]thiourea CAS Name: 1-[(E)-[4-(4-morpholinyl)-3-nitrophenyl]methylideneamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(E)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]thiourea Traditional Name: 1-benzyl-3-[(E)-(4-morpholino-3-nitro-benzylidene)amino]thiourea Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C=NNC(=S)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)/C=N/NC(=S)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O3S/c25-24(26)18-12-16(6-7-17(18)23-8-10-27-11-9-23)14-21-22-19(28)20-13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H2,20,22,28)/b21-14+