1-propan-2-yl-3-[[4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]urea

Systemtic Name: 1-propan-2-yl-3-[[4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]urea Openeye Name: 1-isopropyl-3-[[4-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]phenyl]methyl]urea CAS Name: 1-[[4-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]methyl]-3-propan-2-ylurea IUPAC Name: 1-propan-2-yl-3-[[4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]methyl]urea Traditional Name: 1-isopropyl-3-[4-[4-(3-thenyl)piperazin-4-ium-1-carbonyl]benzyl]urea Formula: C21H29N4O2S+ MolecularWeight: 401.54556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C21H28N4O2S/c1-16(2)23-21(27)22-13-17-3-5-19(6-4-17)20(26)25-10-8-24(9-11-25)14-18-7-12-28-15-18/h3-7,12,15-16H,8-11,13-14H2,1-2H3,(H2,22,23,27)/p+1