1-[[(2R)-oxolan-2-yl]methyl]-3-[(Z)-1-(4-piperazin-1-ylsulfonylphenyl)ethylideneamino]thiourea

Systemtic Name: 1-[[(2R)-oxolan-2-yl]methyl]-3-[(Z)-1-(4-piperazin-1-ylsulfonylphenyl)ethylideneamino]thiourea Openeye Name: 1-[(Z)-1-(4-piperazin-1-ylsulfonylphenyl)ethylideneamino]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea CAS Name: 1-[[(2R)-2-oxolanyl]methyl]-3-[(Z)-1-[4-(1-piperazinylsulfonyl)phenyl]ethylideneamino]thiourea IUPAC Name: 1-[[(2R)-oxolan-2-yl]methyl]-3-[(Z)-1-(4-piperazin-1-ylsulfonylphenyl)ethylideneamino]thiourea Traditional Name: 1-[(Z)-1-(4-piperazinosulfonylphenyl)ethylideneamino]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea Formula: C18H27N5O3S2 MolecularWeight: 425.56868

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1CCCO1)C2=CC=C(C=C2)S(=O)(=O)N3CCNCC3

Isomeric SMILES

C/C(=N/NC(=S)NC[C@H]1CCCO1)/C2=CC=C(C=C2)S(=O)(=O)N3CCNCC3

InChI

InChI=1S/C18H27N5O3S2/c1-14(21-22-18(27)20-13-16-3-2-12-26-16)15-4-6-17(7-5-15)28(24,25)23-10-8-19-9-11-23/h4-7,16,19H,2-3,8-13H2,1H3,(H2,20,22,27)/b21-14-/t16-/m1/s1