1-(3-methylbutyl)-3-[[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]carbonylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]carbonylamino]thiourea Openeye Name: 1-isopentyl-3-[[(3S)-1-(2-thienylsulfonyl)piperidine-3-carbonyl]amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[oxo-[(3S)-1-thiophen-2-ylsulfonyl-3-piperidinyl]methyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]amino]thiourea Traditional Name: 1-isoamyl-3-[[(3S)-1-(2-thienylsulfonyl)nipecotoyl]amino]thiourea Formula: C16H26N4O3S3 MolecularWeight: 418.59764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C16H26N4O3S3/c1-12(2)7-8-17-16(24)19-18-15(21)13-5-3-9-20(11-13)26(22,23)14-6-4-10-25-14/h4,6,10,12-13H,3,5,7-9,11H2,1-2H3,(H,18,21)(H2,17,19,24)/t13-/m0/s1