1-[(E)-1-(4-butoxy-3-nitro-phenyl)ethylideneamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(E)-1-(4-butoxy-3-nitro-phenyl)ethylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(E)-1-(4-butoxy-3-nitro-phenyl)ethylideneamino]thiourea CAS Name: 1-[(E)-1-(4-butoxy-3-nitrophenyl)ethylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(E)-1-(4-butoxy-3-nitrophenyl)ethylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(E)-1-(4-butoxy-3-nitro-phenyl)ethylideneamino]thiourea Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=NNC(=S)NCC=C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C(=N/NC(=S)NCC=C)/C)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O3S/c1-4-6-10-23-15-8-7-13(11-14(15)20(21)22)12(3)18-19-16(24)17-9-5-2/h5,7-8,11H,2,4,6,9-10H2,1,3H3,(H2,17,19,24)/b18-12+