3-(2-methoxy-4-nitro-phenyl)-1,1-bis(phenylmethyl)thiourea

Systemtic Name: 3-(2-methoxy-4-nitro-phenyl)-1,1-bis(phenylmethyl)thiourea Openeye Name: 1,1-dibenzyl-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 3-(2-methoxy-4-nitrophenyl)-1,1-bis(phenylmethyl)thiourea IUPAC Name: 1,1-dibenzyl-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1,1-dibenzyl-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3S/c1-28-21-14-19(25(26)27)12-13-20(21)23-22(29)24(15-17-8-4-2-5-9-17)16-18-10-6-3-7-11-18/h2-14H,15-16H2,1H3,(H,23,29)