1-[2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoylamino]-3-(3-methylbutyl)thiourea

Systemtic Name: 1-[2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoylamino]-3-(3-methylbutyl)thiourea Openeye Name: 1-[[2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetyl]amino]-3-isopentyl-thiourea CAS Name: 1-[[2-[(5-chloro-2-thiophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[[2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetyl]amino]-3-isoamyl-thiourea Formula: C13H21ClN4O3S3 MolecularWeight: 412.97884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)CN(C)S(=O)(=O)C1=CC=C(S1)Cl

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)CN(C)S(=O)(=O)C1=CC=C(S1)Cl

InChI

InChI=1S/C13H21ClN4O3S3/c1-9(2)6-7-15-13(22)17-16-11(19)8-18(3)24(20,21)12-5-4-10(14)23-12/h4-5,9H,6-8H2,1-3H3,(H,16,19)(H2,15,17,22)