1-(4-butylphenyl)-3-[2-(1-methylbenzimidazol-2-yl)ethanoylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[2-(1-methylbenzimidazol-2-yl)ethanoylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[2-(1-methylbenzimidazol-2-yl)acetyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[2-(1-methyl-2-benzimidazolyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[2-(1-methylbenzimidazol-2-yl)acetyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[2-(1-methylbenzimidazol-2-yl)acetyl]amino]thiourea Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CC2=NC3=CC=CC=C3N2C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CC2=NC3=CC=CC=C3N2C

InChI

InChI=1S/C21H25N5OS/c1-3-4-7-15-10-12-16(13-11-15)22-21(28)25-24-20(27)14-19-23-17-8-5-6-9-18(17)26(19)2/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,24,27)(H2,22,25,28)