1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-nitrophenyl)-1-propyl-thiourea

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-nitrophenyl)-1-propyl-thiourea Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-nitrophenyl)-1-propyl-thiourea CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-nitrophenyl)-1-propylthiourea IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-nitrophenyl)-1-propylthiourea Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-nitrophenyl)-1-propyl-thiourea Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1COC2=CC=CC=C2O1)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN(C[C@H]1COC2=CC=CC=C2O1)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-2-11-21(12-16-13-25-17-5-3-4-6-18(17)26-16)19(27)20-14-7-9-15(10-8-14)22(23)24/h3-10,16H,2,11-13H2,1H3,(H,20,27)/t16-/m0/s1