N1,N4-bis[1-butyl-5-[carbamimidoyl(methyl)carbamoyl]pyrrol-3-yl]benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[1-butyl-5-[carbamimidoyl(methyl)carbamoyl]pyrrol-3-yl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[1-butyl-5-[carbamimidoyl(methyl)carbamoyl]pyrrol-3-yl]terephthalamide CAS Name: N1,N4-bis[1-butyl-5-[[carbamimidoyl(methyl)amino]-oxomethyl]-3-pyrrolyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[1-butyl-5-[carbamimidoyl(methyl)carbamoyl]pyrrol-3-yl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[5-[amidino(methyl)carbamoyl]-1-butyl-pyrrol-3-yl]terephthalamide Formula: C30H40N10O4 MolecularWeight: 604.7032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C=C1C(=O)N(C)C(=N)N)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CN(C(=C3)C(=O)N(C)C(=N)N)CCCC

Isomeric SMILES

CCCCN1C=C(C=C1C(=O)N(C)C(=N)N)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CN(C(=C3)C(=O)N(C)C(=N)N)CCCC

InChI

InChI=1S/C30H40N10O4/c1-5-7-13-39-17-21(15-23(39)27(43)37(3)29(31)32)35-25(41)19-9-11-20(12-10-19)26(42)36-22-16-24(28(44)38(4)30(33)34)40(18-22)14-8-6-2/h9-12,15-18H,5-8,13-14H2,1-4H3,(H3,31,32)(H3,33,34)(H,35,41)(H,36,42)