1-[(4-tert-butylphenyl)methyl]-3-[[4-(carbamothioylamino)phenyl]methyl]thiourea

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(carbamothioylamino)phenyl]methyl]thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(carbamothioylamino)phenyl]methyl]thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(carbamothioylamino)phenyl]methyl]thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(carbamothioylamino)phenyl]methyl]thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-(4-thioureidobenzyl)thiourea Formula: C20H26N4S2 MolecularWeight: 386.57724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)NC(=S)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)NC(=S)N

InChI

InChI=1S/C20H26N4S2/c1-20(2,3)16-8-4-14(5-9-16)12-22-19(26)23-13-15-6-10-17(11-7-15)24-18(21)25/h4-11H,12-13H2,1-3H3,(H3,21,24,25)(H2,22,23,26)