1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(4-nitrophenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(4-nitrophenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(4-nitrophenyl)thiourea Traditional Name: 1-cyclopentyl-3-(4-nitrophenyl)-1-piperonyl-thiourea Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S/c24-23(25)17-8-6-15(7-9-17)21-20(28)22(16-3-1-2-4-16)12-14-5-10-18-19(11-14)27-13-26-18/h5-11,16H,1-4,12-13H2,(H,21,28)