1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-nitrophenyl)thiourea Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCO2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC2=C(C=C1)OCCO2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S/c1-11(12-2-7-15-16(10-12)24-9-8-23-15)18-17(25)19-13-3-5-14(6-4-13)20(21)22/h2-7,10-11H,8-9H2,1H3,(H2,18,19,25)/t11-/m1/s1