1-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]amino]-3-(3-methylbutyl)thiourea

Systemtic Name: 1-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]amino]-3-(3-methylbutyl)thiourea Openeye Name: 1-isopentyl-3-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]amino]thiourea CAS Name: 1-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-1-oxopropyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]amino]-3-(3-methylbutyl)thiourea Traditional Name: 1-isoamyl-3-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]amino]thiourea Formula: C16H26N4O4S2 MolecularWeight: 402.53204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)C(C)NS(=O)(=O)C1=CC=C(C=C1)OC

Isomeric SMILES

C[C@@H](C(=O)NNC(=S)NCCC(C)C)NS(=O)(=O)C1=CC=C(C=C1)OC

InChI

InChI=1S/C16H26N4O4S2/c1-11(2)9-10-17-16(25)19-18-15(21)12(3)20-26(22,23)14-7-5-13(24-4)6-8-14/h5-8,11-12,20H,9-10H2,1-4H3,(H,18,21)(H2,17,19,25)/t12-/m0/s1