1-(2-azanylbutanoylamino)-3-[[4-(1-benzothiophen-2-yl)phenyl]methyl]urea

Systemtic Name: 1-(2-azanylbutanoylamino)-3-[[4-(1-benzothiophen-2-yl)phenyl]methyl]urea Openeye Name: 1-(2-aminobutanoylamino)-3-[[4-(benzothiophen-2-yl)phenyl]methyl]urea CAS Name: 1-[(2-amino-1-oxobutyl)amino]-3-[[4-(1-benzothiophen-2-yl)phenyl]methyl]urea IUPAC Name: 1-(2-aminobutanoylamino)-3-[[4-(1-benzothiophen-2-yl)phenyl]methyl]urea Traditional Name: 1-(2-aminobutanoylamino)-3-[4-(benzothiophen-2-yl)benzyl]urea Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NNC(=O)NCC1=CC=C(C=C1)C2=CC3=CC=CC=C3S2)N

Isomeric SMILES

CCC(C(=O)NNC(=O)NCC1=CC=C(C=C1)C2=CC3=CC=CC=C3S2)N

InChI

InChI=1S/C20H22N4O2S/c1-2-16(21)19(25)23-24-20(26)22-12-13-7-9-14(10-8-13)18-11-15-5-3-4-6-17(15)27-18/h3-11,16H,2,12,21H2,1H3,(H,23,25)(H2,22,24,26)