1-methyl-3-(4-nitrophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]thiourea

Systemtic Name: 1-methyl-3-(4-nitrophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]thiourea Openeye Name: 1-methyl-3-(4-nitrophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]thiourea CAS Name: 1-methyl-3-(4-nitrophenyl)-1-[[2-(1-pyrrolidinyl)phenyl]methyl]thiourea IUPAC Name: 1-methyl-3-(4-nitrophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]thiourea Traditional Name: 1-methyl-3-(4-nitrophenyl)-1-(2-pyrrolidinobenzyl)thiourea Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1N2CCCC2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1N2CCCC2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O2S/c1-21(19(26)20-16-8-10-17(11-9-16)23(24)25)14-15-6-2-3-7-18(15)22-12-4-5-13-22/h2-3,6-11H,4-5,12-14H2,1H3,(H,20,26)