1-(2-hydroxyethyl)-1-[4-nitro-2-(phenylcarbamothioylamino)phenyl]-3-phenyl-thiourea

Systemtic Name: 1-(2-hydroxyethyl)-1-[4-nitro-2-(phenylcarbamothioylamino)phenyl]-3-phenyl-thiourea Openeye Name: 1-(2-hydroxyethyl)-1-[4-nitro-2-(phenylcarbamothioylamino)phenyl]-3-phenyl-thiourea CAS Name: 1-[2-[[anilino(sulfanylidene)methyl]amino]-4-nitrophenyl]-1-(2-hydroxyethyl)-3-phenylthiourea IUPAC Name: 1-(2-hydroxyethyl)-1-[4-nitro-2-(phenylcarbamothioylamino)phenyl]-3-phenylthiourea Traditional Name: 1-(2-hydroxyethyl)-1-[4-nitro-2-(phenylthiocarbamoylamino)phenyl]-3-phenyl-thiourea Formula: C22H21N5O3S2 MolecularWeight: 467.56384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])N(CCO)C(=S)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])N(CCO)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C22H21N5O3S2/c28-14-13-26(22(32)24-17-9-5-2-6-10-17)20-12-11-18(27(29)30)15-19(20)25-21(31)23-16-7-3-1-4-8-16/h1-12,15,28H,13-14H2,(H,24,32)(H2,23,25,31)