1-[[3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazol-5-yl]carbonylamino]-3-pentyl-thiourea

Systemtic Name: 1-[[3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazol-5-yl]carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[(1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]-3-pentyl-thiourea CAS Name: 1-[[[3-methyl-1-(phenylmethyl)-5-thieno[2,3-c]pyrazolyl]-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[(1-benzyl-3-methylthieno[2,3-c]pyrazole-5-carbonyl)amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[(1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]thiourea Formula: C20H25N5OS2 MolecularWeight: 415.5754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=CC2=C(S1)N(N=C2C)CC3=CC=CC=C3

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=CC2=C(S1)N(N=C2C)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N5OS2/c1-3-4-8-11-21-20(27)23-22-18(26)17-12-16-14(2)24-25(19(16)28-17)13-15-9-6-5-7-10-15/h5-7,9-10,12H,3-4,8,11,13H2,1-2H3,(H,22,26)(H2,21,23,27)