1-methyl-1-[(4-nitrophenyl)methyl]-3-propyl-thiourea

Systemtic Name: 1-methyl-1-[(4-nitrophenyl)methyl]-3-propyl-thiourea Openeye Name: 1-methyl-1-[(4-nitrophenyl)methyl]-3-propyl-thiourea CAS Name: 1-methyl-1-[(4-nitrophenyl)methyl]-3-propylthiourea IUPAC Name: 1-methyl-1-[(4-nitrophenyl)methyl]-3-propylthiourea Traditional Name: 1-methyl-1-(4-nitrobenzyl)-3-propyl-thiourea Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N(C)CC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=S)N(C)CC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O2S/c1-3-8-13-12(18)14(2)9-10-4-6-11(7-5-10)15(16)17/h4-7H,3,8-9H2,1-2H3,(H,13,18)