1-[(E)-(5-nitro-2-pyrrolidin-1-yl-phenyl)methylideneamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(E)-(5-nitro-2-pyrrolidin-1-yl-phenyl)methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(E)-(5-nitro-2-pyrrolidin-1-yl-phenyl)methyleneamino]thiourea CAS Name: 1-[(E)-[5-nitro-2-(1-pyrrolidinyl)phenyl]methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(E)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(E)-(5-nitro-2-pyrrolidino-benzylidene)amino]thiourea Formula: C15H19N5O2S MolecularWeight: 333.40866

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NN=CC1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2

Isomeric SMILES

C=CCNC(=S)N/N=C/C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2

InChI

InChI=1S/C15H19N5O2S/c1-2-7-16-15(23)18-17-11-12-10-13(20(21)22)5-6-14(12)19-8-3-4-9-19/h2,5-6,10-11H,1,3-4,7-9H2,(H2,16,18,23)/b17-11+