(1R)-2-[[2-(5-carbamimidoyl-1-benzothiophen-3-yl)-3-phenyl-propanoyl]amino]-N-ethyl-cyclohexane-1-carboxamide

Systemtic Name: (1R)-2-[[2-(5-carbamimidoyl-1-benzothiophen-3-yl)-3-phenyl-propanoyl]amino]-N-ethyl-cyclohexane-1-carboxamide Openeye Name: (1R)-2-[[2-(5-carbamimidoylbenzothiophen-3-yl)-3-phenyl-propanoyl]amino]-N-ethyl-cyclohexanecarboxamide CAS Name: (1R)-2-[[2-(5-carbamimidoyl-1-benzothiophen-3-yl)-1-oxo-3-phenylpropyl]amino]-N-ethyl-1-cyclohexanecarboxamide IUPAC Name: (1R)-2-[[2-(5-carbamimidoyl-1-benzothiophen-3-yl)-3-phenylpropanoyl]amino]-N-ethylcyclohexane-1-carboxamide Traditional Name: (1R)-2-[[2-(5-amidinobenzothiophen-3-yl)-3-phenyl-propanoyl]amino]-N-ethyl-cyclohexanecarboxamide Formula: C27H32N4O2S MolecularWeight: 476.63358

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1CCCCC1NC(=O)C(CC2=CC=CC=C2)C3=CSC4=C3C=C(C=C4)C(=N)N

Isomeric SMILES

CCNC(=O)[C@@H]1CCCCC1NC(=O)C(CC2=CC=CC=C2)C3=CSC4=C3C=C(C=C4)C(=N)N

InChI

InChI=1S/C27H32N4O2S/c1-2-30-26(32)19-10-6-7-11-23(19)31-27(33)21(14-17-8-4-3-5-9-17)22-16-34-24-13-12-18(25(28)29)15-20(22)24/h3-5,8-9,12-13,15-16,19,21,23H,2,6-7,10-11,14H2,1H3,(H3,28,29)(H,30,32)(H,31,33)/t19-,21?,23?/m1/s1