1-[3-(tert-butylamino)propyl]-3-(3,4-dimethylphenyl)thiourea; ethanedioic acid

Systemtic Name: 1-[3-(tert-butylamino)propyl]-3-(3,4-dimethylphenyl)thiourea; ethanedioic acid Openeye Name: 1-[3-(tert-butylamino)propyl]-3-(3,4-dimethylphenyl)thiourea; oxalic acid CAS Name: 1-[3-(tert-butylamino)propyl]-3-(3,4-dimethylphenyl)thiourea; oxalic acid IUPAC Name: 1-[3-(tert-butylamino)propyl]-3-(3,4-dimethylphenyl)thiourea; oxalic acid Traditional Name: 1-[3-(tert-butylamino)propyl]-3-(3,4-dimethylphenyl)thiourea; oxalic acid Formula: C18H29N3O4S MolecularWeight: 383.50556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCCCNC(C)(C)C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCCCNC(C)(C)C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H27N3S.C2H2O4/c1-12-7-8-14(11-13(12)2)19-15(20)17-9-6-10-18-16(3,4)5;3-1(4)2(5)6/h7-8,11,18H,6,9-10H2,1-5H3,(H2,17,19,20);(H,3,4)(H,5,6)