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

Systemtic Name: 1-[[4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-3-(4-methylphenyl)sulfonyl-thiourea Openeye Name: 1-[[4-methoxy-6-(sec-butylamino)-1,3,5-triazin-2-yl]amino]-3-(p-tolylsulfonyl)thiourea CAS Name: 1-[[4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-3-(4-methylphenyl)sulfonylthiourea IUPAC Name: 1-[[4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-3-(4-methylphenyl)sulfonylthiourea Traditional Name: 1-[[4-methoxy-6-(sec-butylamino)-s-triazin-2-yl]amino]-3-tosyl-thiourea Formula: C16H23N7O3S2 MolecularWeight: 425.52892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N7O3S2/c1-5-11(3)17-13-18-14(20-15(19-13)26-4)21-22-16(27)23-28(24,25)12-8-6-10(2)7-9-12/h6-9,11H,5H2,1-4H3,(H2,22,23,27)(H2,17,18,19,20,21)