1-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

C[C@H](C1=CC2=C(C=C1)OCO2)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H17N3O5S/c1-10(11-3-6-14-16(7-11)25-9-24-14)18-17(26)19-13-5-4-12(20(21)22)8-15(13)23-2/h3-8,10H,9H2,1-2H3,(H2,18,19,26)/t10-/m1/s1