1-[[4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-methyl-amino]-3-(4-methylphenyl)sulfonyl-thiourea

Systemtic Name: 1-[[4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-methyl-amino]-3-(4-methylphenyl)sulfonyl-thiourea Openeye Name: 1-[[4-methoxy-6-(sec-butylamino)-1,3,5-triazin-2-yl]-methyl-amino]-3-(p-tolylsulfonyl)thiourea CAS Name: 1-[[4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylamino]-3-(4-methylphenyl)sulfonylthiourea IUPAC Name: 1-[[4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylamino]-3-(4-methylphenyl)sulfonylthiourea Traditional Name: 1-[[4-methoxy-6-(sec-butylamino)-s-triazin-2-yl]-methyl-amino]-3-tosyl-thiourea Formula: C17H25N7O3S2 MolecularWeight: 439.5555

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC(=NC(=N1)OC)N(C)NC(=S)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C)NC1=NC(=NC(=N1)OC)N(C)NC(=S)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H25N7O3S2/c1-6-12(3)18-14-19-15(21-16(20-14)27-5)24(4)22-17(28)23-29(25,26)13-9-7-11(2)8-10-13/h7-10,12H,6H2,1-5H3,(H2,22,23,28)(H,18,19,20,21)